Assignment w1 w2 K3H-N 124.577 8.402 V5H-N 120.488 8.201 S6H-N 119.0 8.276 L7H-N 124.704 8.238 S8H-N 115.96 8.148 Y9H-N 121.884 7.954 R10H-N 121.977 8.117 C11H-N 121.209 8.127 C13H-N 114.595 8.633 R14H-N 122.779 8.236 F15H-N 116.797 7.615 F16H-N 118.93 8.125 E17H-N 122.929 8.836 S18H-N 118.86 8.751 H19H-N 120.535 8.761 V20H-N 120.872 7.157 A21H-N 131.339 8.521 R22H-N 124.365 7.79 A23H-N 117.156 8.12 N24H-N 112.819 7.717 N24HD21-ND2 111.993 7.59 N24HD22-ND2 111.993 7.089 V25H-N 119.721 7.489 K26H-N 127.843 9.479 H27H-N 109.556 7.237 L28H-N 117.26 8.189 K29H-N 123.488 9.572 I30H-N 123.846 9.136 L31H-N 128.649 8.83 N32H-N 120.791 8.216 N32HD21-ND2 111.738 7.606 N32HD22-ND2 111.738 6.266 T33H-N 115.811 7.883 N35H-N 120.081 8.254 N35HD21-ND2 112.472 7.57 N35HD22-ND2 112.472 6.892 C36H-N 117.076 7.548 A37H-N 125.153 8.472 C38H-N 118.837 8.316 Q39H-N 128.567 8.921 Q39HE21-NE2 112.756 7.264 Q39HE22-NE2 112.756 6.891 I40H-N 123.962 8.893 V41H-N 126.354 9.12 A42H-N 128.406 9.513 R43H-N 121.663 7.717 L44H-N 129.087 9.163 K45H-N 119.674 8.417 R49H-N 119.826 7.919 Q50H-N 120.767 8.547 Q50HE21-NE2 111.045 7.615 Q50HE22-NE2 111.045 7.082 V51H-N 116.678 8.63 C52H-N 124.549 9.1 I53H-N 122.581 8.485 D54H-N 125.772 7.661 K56H-N 112.924 7.931 L57H-N 120.593 7.162 K58H-N 125.479 8.72 W59H-N 113.433 7.811 W59HE1-NE1 130.751 10.309 I60H-N 124.379 6.467 Q61H-N 119.07 7.624 Q61HE21-NE2 115.396 7.078 Q61HE22-NE2 115.396 7.925 E62H-N 117.166 8.064 Y63H-N 121.271 7.924 L64H-N 116.299 8.26 E65H-N 118.616 8.454 K66H-N 117.166 7.575 C67H-N 115.33 7.918 L68H-N 120.93 7.559 N69H-N 120.279 8.265 N69HD21-ND2 111.986 7.554 N69HD22-ND2 111.986 6.813 K70H-N 127.034 7.841 E4H-N 121.884 8.342 G5H-N 110.055 8.331 I6H-N 119.606 7.831 S7H-N 119.853 8.35 I8H-N 121.73 7.921 Y9H-N 123.598 8.166 T10H-N 115.642 7.961 S11H-N 117.26 8.211 D12H-N 122.02 8.351 N13H-N 118.317 8.23 Y14H-N 120.85 8.101 T15H-N 116.126 7.879 E16H-N 123.052 8.253 E17H-N 121.688 8.331 M18H-N 121.27 8.317 G19H-N 110.055 8.32 S20H-N 115.664 8.23 G21H-N 110.872 8.371 D22H-N 120.53 8.072 X23H-N 120.283 8.18 D24H-N 121.417 8.322 S25H-N 116.126 8.155 M26H-N 121.21 8.221 K27H-N 121.457 8.036 E28H-N 122.74 8.205 A30H-N 123.577 8.273 F31H-N 118.994 8.019 R32H-N 122.929 8.042 E33H-N 122.719 8.389 E34H-N 122.122 8.502 N35H-N 119.552 8.362 A36H-N 124.376 8.155 N37H-N 117.103 8.21 F38H-N 120.229 7.997 N39H-N 120.594 8.272 K40H-N 126.523 7.697 K3H-N 124.577 8.402 V5H-N 120.488 8.201 S6H-N 119.0 8.276 L7H-N 124.704 8.238 S8H-N 115.96 8.148 Y9H-N 121.884 7.954 R10H-N 121.977 8.117 C11H-N 121.209 8.127 C13H-N 114.595 8.633 R14H-N 122.779 8.236 F15H-N 116.797 7.615 F16H-N 118.93 8.125 E17H-N 122.929 8.836 S18H-N 118.86 8.751 H19H-N 120.535 8.761 V20H-N 120.872 7.157 A21H-N 131.339 8.521 R22H-N 124.365 7.79 A23H-N 117.156 8.12 N24H-N 112.819 7.717 N24HD21-ND2 111.993 7.59 N24HD22-ND2 111.993 7.089 V25H-N 119.721 7.489 K26H-N 127.843 9.479 H27H-N 109.556 7.237 L28H-N 117.26 8.189 K29H-N 123.488 9.572 I30H-N 123.846 9.136 L31H-N 128.649 8.83 N32H-N 120.791 8.216 N32HD21-ND2 111.738 7.606 N32HD22-ND2 111.738 6.266 T33H-N 115.811 7.883 N35H-N 120.081 8.254 N35HD21-ND2 112.472 7.57 N35HD22-ND2 112.472 6.892 C36H-N 117.076 7.548 A37H-N 125.153 8.472 C38H-N 118.837 8.316 Q39H-N 128.567 8.921 Q39HE21-NE2 112.756 7.264 Q39HE22-NE2 112.756 6.891 I40H-N 123.962 8.893 V41H-N 126.354 9.12 A42H-N 128.406 9.513 R43H-N 121.663 7.717 L44H-N 129.087 9.163 K45H-N 119.674 8.417 R49H-N 119.826 7.919 Q50H-N 120.767 8.547 Q50HE21-NE2 111.045 7.615 Q50HE22-NE2 111.045 7.082 V51H-N 116.678 8.63 C52H-N 124.549 9.1 I53H-N 122.581 8.485 D54H-N 125.772 7.661 K56H-N 112.924 7.931 L57H-N 120.593 7.162 K58H-N 125.479 8.72 W59H-N 113.433 7.811 W59HE1-NE1 130.751 10.309 I60H-N 124.379 6.467 Q61H-N 119.07 7.624 Q61HE21-NE2 115.396 7.078 Q61HE22-NE2 115.396 7.925 E62H-N 117.166 8.064 Y63H-N 121.271 7.924 L64H-N 116.299 8.26 E65H-N 118.616 8.454 K66H-N 117.166 7.575 C67H-N 115.33 7.918 L68H-N 120.93 7.559 N69H-N 120.279 8.265 N69HD21-ND2 111.986 7.554 N69HD22-ND2 111.986 6.813 K70H-N 127.034 7.841 E4H-N 121.884 8.342 G5H-N 110.055 8.331 I6H-N 119.606 7.831 S7H-N 119.853 8.35 I8H-N 121.73 7.921 Y9H-N 123.598 8.166 T10H-N 115.642 7.961 S11H-N 117.26 8.211 D12H-N 122.02 8.351 N13H-N 118.317 8.23 Y14H-N 120.85 8.101 T15H-N 116.126 7.879 E16H-N 123.052 8.253 E17H-N 121.688 8.331 M18H-N 121.27 8.317 G19H-N 110.055 8.32 S20H-N 115.664 8.23 G21H-N 110.872 8.371 D22H-N 120.53 8.072 X23H-N 120.283 8.18 D24H-N 121.417 8.322 S25H-N 116.126 8.155 M26H-N 121.21 8.221 K27H-N 121.457 8.036 E28H-N 122.74 8.205 A30H-N 123.577 8.273 F31H-N 118.994 8.019 R32H-N 122.929 8.042 E33H-N 122.719 8.389 E34H-N 122.122 8.502 N35H-N 119.552 8.362 A36H-N 124.376 8.155 N37H-N 117.103 8.21 F38H-N 120.229 7.997 N39H-N 120.594 8.272 K40H-N 126.523 7.697