Assignment w1 w2 R2H-N 123.166 8.518 Q3H-N 123.166 8.519 Q3HE21-NE2 112.45 7.593 Q3HE22-NE2 112.45 6.91 R5H-N 121.39 8.51 I6H-N 121.975 8.204 M7H-N 122.4 8.359 E8H-N 123.17 8.415 E9H-N 119.49 8.546 K10H-N 118.8 7.856 A11H-N 121.31 7.891 L12H-N 119.09 7.768 E13H-N 120.98 7.699 V14H-N 117.66 7.946 Y15H-N 120.47 8.787 D16H-N 116.99 8.383 L17H-N 115.35 7.154 I18H-N 110.55 7.597 R19H-N 118.87 7.936 R19HE-NE 84.667 7.765 T20H-N 102.529 6.631 I21H-N 125.02 7.067 R22H-N 128.15 8.494 R22HE-NE 85.604 7.252 D23H-N 122.86 8.183 E25H-N 115.46 8.786 K26H-N 123.74 9.624 N28H-N 118.74 8.368 N28HD21-ND2 108.83 7.536 N28HD22-ND2 108.83 6.634 T29H-N 109.07 8.753 L30H-N 115.78 9.045 E31H-N 117.5 7.698 E32H-N 123.17 8.035 L33H-N 114.92 7.475 E34H-N 114.1 8.012 V35H-N 119.792 8.464 V36H-N 104.53 6.928 S37H-N 113.61 7.938 E38H-N 123.27 9.089 S39H-N 109.64 7.761 C40H-N 119.97 7.943 V41H-N 119.9 7.081 E42H-N 127.92 9.214 V43H-N 123.86 8.767 Q44H-N 123.94 9.412 Q44HE21-NE2 110.52 7.672 Q44HE22-NE2 110.52 6.602 E45H-N 125.0 9.133 I46H-N 125.13 8.32 N47H-N 116.83 8.048 N47HD21-ND2 115.025 7.636 N47HD22-ND2 115.025 7.117 E48H-N 117.09 8.649 E49H-N 117.45 8.766 E50H-N 119.22 7.466 Y51H-N 121.975 8.062 L52H-N 125.68 9.563 V53H-N 128.312 9.335 I54H-N 127.5 9.381 I55H-N 125.74 8.577 R56H-N 126.44 8.269 R56HE-NE 85.461 7.367 F57H-N 119.19 8.669 T58H-N 118.4 9.327 T60H-N 113.441 8.873 V61H-N 114.2 7.146 A67H-N 121.776 7.858 T68H-N 111.8 8.268 L69H-N 122.63 7.58 I70H-N 120.62 8.423 G71H-N 105.26 8.107 L72H-N 121.6 8.214 C73H-N 116.71 8.107 L74H-N 117.18 7.966 R75H-N 115.83 7.545 V76H-N 118.8 8.708 K77H-N 118.02 8.251 L78H-N 115.83 7.528 Q79H-N 118.83 8.606 Q79HE21-NE2 111.74 7.449 Q79HE22-NE2 111.74 6.811 R80H-N 115.19 7.773 C81H-N 112.25 7.76 L82H-N 122.55 8.555 K85H-N 124.6 9.23 H86H-N 119.88 8.511 K87H-N 121.2 8.701 L88H-N 125.28 8.948 E89H-N 128.722 9.337 I90H-N 121.0 8.3 Y91H-N 121.181 9.042 I92H-N 121.181 9.037 S93H-N 122.56 8.424 E94H-N 125.11 8.777 T96H-N 112.54 8.131 E100H-N 121.393 7.992 E101H-N 118.98 8.457 D102H-N 119.72 8.136 I103H-N 121.61 7.993 N104H-N 117.8 8.472 N104HD21-ND2 109.95 7.526 N104HD22-ND2 109.95 7.455 K105H-N 119.36 7.823 Q106H-N 117.38 7.817 Q106HE21-NE2 111.589 7.37 Q106HE22-NE2 111.589 6.832 I107H-N 108.77 7.947 N108H-N 115.8 7.144 D109H-N 122.09 7.503 K110H-N 126.75 8.946 E111H-N 119.44 8.373 R112H-N 121.633 8.016 V113H-N 122.26 8.476 A114H-N 119.99 7.671 A115H-N 118.62 7.767 A116H-N 122.25 7.891 M117H-N 111.854 7.693 E118H-N 116.97 7.419 N119H-N 121.66 7.59 N119HD21-ND2 113.45 7.872 N119HD22-ND2 113.45 7.289 N121H-N 114.76 7.908 N121HD21-ND2 113.64 7.688 N121HD22-ND2 113.64 7.073 L122H-N 119.64 7.379 R123H-N 118.998 8.539 R123HE-NE 85.691 7.958 E124H-N 115.46 7.659 I125H-N 119.27 7.126 V126H-N 120.63 8.056 E127H-N 114.27 8.438 Q128H-N 116.37 7.562 Q128HE21-NE2 111.015 7.465 Q128HE22-NE2 111.015 6.773 C129H-N 116.68 8.112 V130H-N 107.69 7.691 L131H-N 122.98 6.959 E132H-N 125.12 8.597 D134H-N 118.67 8.427 Q135H-N 119.66 8.177 Q135HE21-NE2 112.79 7.58 Q135HE22-NE2 112.79 6.822 L136H-N 122.173 8.062 E137H-N 120.44 8.229 H138H-N 119.57 8.177 H139H-N 125.349 8.083