NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
503007 | 2y4w | 17443 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 91 and name HA ) ( resid 91 and name HG2+ ) 3.39 3.39 0.00 peak 5 assign ( resid 43 and name HA ) ( resid 44 and name HN ) 3.23 3.23 0.00 peak 6 assign ( resid 137 and name HA ) ( resid 137 and name HD+ ) 3.36 3.36 0.00 peak 9 assign ( resid 33 and name HA ) ( resid 33 and name HG12 ) 4.02 4.02 0.00 peak 13 assign ( resid 68 and name HA ) ( resid 69 and name HN ) 3.20 3.20 0.00 peak 16 assign ( resid 109 and name HG2+ ) ( resid 110 and name HA ) 4.00 4.00 0.00 peak 19 assign ( resid 11 and name HA ) ( resid 14 and name HN ) 3.93 3.93 0.00 peak 25 assign ( resid 47 and name HB2 ) ( resid 48 and name HA ) 4.97 4.97 0.00 peak 29 assign ( resid 132 and name HA ) ( resid 132 and name HG1 ) 3.82 3.82 0.00 peak 32 assign ( resid 39 and name HG1+ ) ( resid 54 and name HE2 ) 5.50 5.50 0.00 peak 45 assign ( resid 39 and name HG1+ ) ( resid 54 and name HE1 ) 5.50 5.50 0.00 peak 45 assign ( resid 58 and name HA ) ( resid 58 and name HG2 ) 4.12 4.12 0.00 peak 49 assign ( resid 58 and name HA ) ( resid 58 and name HG1 ) 4.12 4.12 0.00 peak 49 assign ( resid 125 and name HA ) ( resid 125 and name HG2 ) 3.73 3.73 0.00 peak 54 assign ( resid 36 and name HB2 ) ( resid 36 and name HE3 ) 3.60 3.60 0.00 peak 64 assign ( resid 115 and name HN ) ( resid 115 and name HB1 ) 3.92 3.92 0.00 peak 65 assign ( resid 43 and name HG2 ) ( resid 46 and name HG2+ ) 3.50 3.50 0.00 peak 76 assign ( resid 9 and name HB2 ) ( resid 9 and name HD1+ ) 4.05 4.05 0.00 peak 86 assign ( resid 16 and name HA ) ( resid 16 and name HD1+ ) 4.19 4.19 0.00 peak 91 assign ( resid 129 and name HA ) ( resid 129 and name HD1+ ) 3.99 3.99 0.00 peak 91 assign ( resid 16 and name HD2+ ) ( resid 20 and name HA ) 4.41 4.41 0.00 peak 98 assign ( resid 38 and name HB+ ) ( resid 39 and name HN ) 3.07 3.07 0.00 peak 100 assign ( resid 145 and name HN ) ( resid 145 and name HG1+ ) 3.99 3.99 0.00 peak 104 assign ( resid 129 and name HA ) ( resid 129 and name HD2+ ) 3.99 3.99 0.00 peak 106 assign ( resid 129 and name HB1 ) ( resid 129 and name HD2+ ) 3.70 3.70 0.00 peak 109 assign ( resid 141 and name HG1+ ) ( resid 142 and name HN ) 4.10 4.10 0.00 peak 111 assign ( resid 24 and name HG1+ ) ( resid 25 and name HN ) 3.96 3.96 0.00 peak 114 assign ( resid 24 and name HG1+ ) ( resid 107 and name HN ) 4.99 4.99 0.00 peak 114 assign ( resid 102 and name HA ) ( resid 102 and name HG2+ ) 3.54 3.54 0.00 peak 118 assign ( resid 81 and name HG2+ ) ( resid 82 and name HN ) 4.60 4.60 0.00 peak 120 assign ( resid 24 and name HG2+ ) ( resid 107 and name HA ) 4.23 4.23 0.00 peak 126 assign ( resid 91 and name HG2+ ) ( resid 92 and name HA ) 3.64 3.64 0.00 peak 131 assign ( resid 40 and name HG2+ ) ( resid 110 and name HA ) 3.69 3.69 0.00 peak 134 assign ( resid 126 and name HN ) ( resid 126 and name HB+ ) 3.10 3.10 0.00 peak 136 assign ( resid 10 and name HA ) ( resid 33 and name HD1+ ) 3.83 3.83 0.00 peak 138 assign ( resid 10 and name HG2 ) ( resid 33 and name HD1+ ) 3.91 3.91 0.00 peak 139 assign ( resid 53 and name HE+ ) ( resid 144 and name HD1+ ) 3.56 3.56 0.00 peak 141 assign ( resid 144 and name HB ) ( resid 144 and name HD1+ ) 3.26 3.26 0.00 peak 142 assign ( resid 27 and name HA ) ( resid 28 and name HD2 ) 3.32 3.32 0.00 peak 153 assign ( resid 117 and name HA ) ( resid 118 and name HD1 ) 3.61 3.61 0.00 peak 155 assign ( resid 19 and name HA ) ( resid 20 and name HD1 ) 3.28 3.28 0.00 peak 156 assign ( resid 114 and name HB2 ) ( resid 115 and name HN ) 3.91 3.91 0.00 peak 172 assign ( resid 18 and name HN ) ( resid 18 and name HG1 ) 3.81 3.81 0.00 peak 190 assign ( resid 35 and name HA ) ( resid 35 and name HG1 ) 4.07 4.07 0.00 peak 194 assign ( resid 25 and name HN ) ( resid 25 and name HB1 ) 4.00 4.00 0.00 peak 199 assign ( resid 28 and name HA ) ( resid 36 and name HA ) 3.47 3.47 0.00 peak 211 assign ( resid 55 and name HD1+ ) ( resid 72 and name HE+ ) 4.27 4.27 0.00 peak 216 assign ( resid 24 and name HN ) ( resid 24 and name HG2+ ) 4.05 4.05 0.00 peak 223 assign ( resid 115 and name HA ) ( resid 116 and name HD1 ) 3.42 3.42 0.00 peak 227 assign ( resid 120 and name HA ) ( resid 121 and name HD1 ) 3.72 3.72 0.00 peak 227 assign ( resid 72 and name HE+ ) ( resid 87 and name HD1+ ) 3.45 3.45 0.00 peak 228 assign ( resid 109 and name HA ) ( resid 109 and name HD1+ ) 3.97 3.97 0.00 peak 229 assign ( resid 36 and name HB1 ) ( resid 57 and name HD1+ ) 4.04 4.04 0.00 peak 233 assign ( resid 36 and name HB2 ) ( resid 57 and name HD1+ ) 4.38 4.38 0.00 peak 233 assign ( resid 47 and name HB1 ) ( resid 141 and name HG1+ ) 5.40 5.40 0.00 peak 245 assign ( resid 33 and name HA ) ( resid 33 and name HG2+ ) 3.74 3.74 0.00 peak 247 assign ( resid 65 and name HN ) ( resid 65 and name HB1 ) 4.01 4.01 0.00 peak 250 assign ( resid 55 and name HB1 ) ( resid 56 and name HN ) 4.07 4.07 0.00 peak 253 assign ( resid 57 and name HG2+ ) ( resid 70 and name HG1+ ) 3.98 3.98 0.00 peak 254 assign ( resid 55 and name HA ) ( resid 73 and name HB2 ) 4.39 4.39 0.00 peak 256 assign ( resid 35 and name HA ) ( resid 58 and name HA ) 3.61 3.61 0.00 peak 259 assign ( resid 77 and name HA ) ( resid 77 and name HD+ ) 3.70 3.70 0.00 peak 265 assign ( resid 79 and name HA ) ( resid 126 and name HA ) 4.95 4.95 0.00 peak 268 assign ( resid 3 and name HG2+ ) ( resid 4 and name HD1 ) 3.44 3.44 0.00 peak 273 assign ( resid 26 and name HA1 ) ( resid 38 and name HB+ ) 3.63 3.63 0.00 peak 279 assign ( resid 107 and name HN ) ( resid 107 and name HB ) 3.91 3.91 0.00 peak 281 assign ( resid 107 and name HB ) ( resid 108 and name HN ) 4.49 4.49 0.00 peak 282 assign ( resid 10 and name HN ) ( resid 10 and name HG1 ) 3.75 3.75 0.00 peak 286 assign ( resid 130 and name HD+ ) ( resid 131 and name HA ) 4.31 4.31 0.00 peak 287 assign ( resid 21 and name HA ) ( resid 22 and name HN ) 2.99 2.99 0.00 peak 289 assign ( resid 134 and name HA ) ( resid 137 and name HB1 ) 3.74 3.74 0.00 peak 299 assign ( resid 131 and name HB2 ) ( resid 132 and name HN ) 4.57 4.57 0.00 peak 306 assign ( resid 131 and name HB1 ) ( resid 132 and name HN ) 4.57 4.57 0.00 peak 306 assign ( resid 117 and name HN ) ( resid 117 and name HB1 ) 3.88 3.88 0.00 peak 313 assign ( resid 88 and name HN ) ( resid 88 and name HB2 ) 3.73 3.73 0.00 peak 314 assign ( resid 129 and name HN ) ( resid 129 and name HG ) 4.13 4.13 0.00 peak 315 assign ( resid 40 and name HN ) ( resid 40 and name HG11 ) 4.17 4.17 0.00 peak 316 assign ( resid 10 and name HN ) ( resid 10 and name HB1 ) 3.70 3.70 0.00 peak 318 assign ( resid 53 and name HA ) ( resid 54 and name HN ) 3.52 3.52 0.00 peak 323 assign ( resid 37 and name HA ) ( resid 56 and name HA ) 3.97 3.97 0.00 peak 327 assign ( resid 69 and name HB ) ( resid 70 and name HN ) 4.50 4.50 0.00 peak 336 assign ( resid 129 and name HA ) ( resid 133 and name HB2 ) 4.53 4.53 0.00 peak 338 assign ( resid 122 and name HN ) ( resid 123 and name HB2 ) 5.25 5.25 0.00 peak 352 assign ( resid 122 and name HN ) ( resid 123 and name HB1 ) 5.50 5.50 0.00 peak 352 assign ( resid 111 and name HA ) ( resid 114 and name HB2 ) 4.01 4.01 0.00 peak 366 assign ( resid 48 and name HD+ ) ( resid 145 and name HB ) 5.50 5.50 0.00 peak 371 assign ( resid 145 and name HB ) ( resid 149 and name HD1 ) 5.50 5.50 0.00 peak 371 assign ( resid 10 and name HN ) ( resid 10 and name HB2 ) 3.70 3.70 0.00 peak 377 assign ( resid 102 and name HN ) ( resid 102 and name HB ) 3.69 3.69 0.00 peak 378 assign ( resid 4 and name HG2 ) ( resid 64 and name HD2 ) 5.33 5.33 0.00 peak 383 assign ( resid 4 and name HG2 ) ( resid 64 and name HD1 ) 5.33 5.33 0.00 peak 384 assign ( resid 5 and name HA ) ( resid 8 and name HN ) 4.22 4.22 0.00 peak 389 assign ( resid 5 and name HB+ ) ( resid 62 and name HN ) 4.19 4.19 0.00 peak 392 assign ( resid 5 and name HB+ ) ( resid 63 and name HN ) 4.34 4.34 0.00 peak 392 assign ( resid 9 and name HA ) ( resid 9 and name HD2+ ) 4.40 4.40 0.00 peak 400 assign ( resid 10 and name HN ) ( resid 10 and name HG2 ) 3.75 3.75 0.00 peak 405 assign ( resid 138 and name HN ) ( resid 138 and name HG1 ) 4.17 4.17 0.00 peak 409 assign ( resid 62 and name HN ) ( resid 62 and name HG2 ) 4.71 4.71 0.00 peak 420 assign ( resid 127 and name HA ) ( resid 130 and name HB1 ) 4.20 4.20 0.00 peak 421 assign ( resid 127 and name HA ) ( resid 130 and name HB2 ) 4.20 4.20 0.00 peak 422 assign ( resid 112 and name HA ) ( resid 112 and name HD2+ ) 4.06 4.06 0.00 peak 428 assign ( resid 129 and name HB2 ) ( resid 130 and name HN ) 4.50 4.50 0.00 peak 435 assign ( resid 129 and name HB1 ) ( resid 137 and name HB1 ) 5.24 5.24 0.00 peak 439 assign ( resid 54 and name HB2 ) ( resid 73 and name HB2 ) 4.89 4.89 0.00 peak 442 assign ( resid 54 and name HB1 ) ( resid 73 and name HB2 ) 4.89 4.89 0.00 peak 443 assign ( resid 56 and name HB ) ( resid 73 and name HB2 ) 5.50 5.50 0.00 peak 443 assign ( resid 16 and name HB1 ) ( resid 17 and name HN ) 4.14 4.14 0.00 peak 445 assign ( resid 13 and name HA ) ( resid 16 and name HB2 ) 4.38 4.38 0.00 peak 448 assign ( resid 129 and name HB1 ) ( resid 137 and name HB2 ) 5.24 5.24 0.00 peak 449 assign ( resid 13 and name HA ) ( resid 16 and name HB1 ) 4.38 4.38 0.00 peak 455 assign ( resid 109 and name HA ) ( resid 112 and name HB2 ) 4.51 4.51 0.00 peak 458 assign ( resid 121 and name HA ) ( resid 122 and name HN ) 3.19 3.19 0.00 peak 462 assign ( resid 63 and name HA ) ( resid 64 and name HA ) 4.45 4.45 0.00 peak 472 assign ( resid 91 and name HD1+ ) ( resid 105 and name HA ) 3.56 3.56 0.00 peak 481 assign ( resid 105 and name HA ) ( resid 108 and name HB2 ) 4.20 4.20 0.00 peak 482 assign ( resid 19 and name HA ) ( resid 20 and name HD2 ) 3.28 3.28 0.00 peak 509 assign ( resid 76 and name HA ) ( resid 144 and name HG2+ ) 4.01 4.01 0.00 peak 518 assign ( resid 66 and name HA ) ( resid 67 and name HD1 ) 3.39 3.39 0.00 peak 523 assign ( resid 66 and name HA ) ( resid 67 and name HD2 ) 3.39 3.39 0.00 peak 524 assign ( resid 47 and name HB2 ) ( resid 48 and name HN ) 4.16 4.16 0.00 peak 531 assign ( resid 41 and name HA ) ( resid 41 and name HD+ ) 4.23 4.23 0.00 peak 546 assign ( resid 41 and name HA ) ( resid 52 and name HA ) 3.64 3.64 0.00 peak 548 assign ( resid 125 and name HA ) ( resid 125 and name HG1 ) 3.73 3.73 0.00 peak 559 assign ( resid 40 and name HG2+ ) ( resid 110 and name HG2 ) 4.24 4.24 0.00 peak 565 assign ( resid 110 and name HN ) ( resid 110 and name HG1 ) 4.96 4.96 0.00 peak 568 assign ( resid 110 and name HG1 ) ( resid 111 and name HN ) 5.44 5.44 0.00 peak 568 assign ( resid 131 and name HG2 ) ( resid 132 and name HN ) 4.33 4.33 0.00 peak 570 assign ( resid 72 and name HB1 ) ( resid 73 and name HN ) 4.54 4.54 0.00 peak 573 assign ( resid 117 and name HB1 ) ( resid 119 and name HN ) 4.56 4.56 0.00 peak 576 assign ( resid 47 and name HA ) ( resid 48 and name HA ) 4.86 4.86 0.00 peak 590 assign ( resid 79 and name HA ) ( resid 126 and name HB+ ) 3.78 3.78 0.00 peak 601 assign ( resid 82 and name HA ) ( resid 122 and name HB+ ) 4.27 4.27 0.00 peak 606 assign ( resid 39 and name HG2+ ) ( resid 40 and name HN ) 4.55 4.55 0.00 peak 627 assign ( resid 39 and name HA ) ( resid 39 and name HG2+ ) 3.47 3.47 0.00 peak 634 assign ( resid 39 and name HG2+ ) ( resid 54 and name HA ) 4.36 4.36 0.00 peak 634 assign ( resid 43 and name HD1 ) ( resid 113 and name HD2+ ) 4.67 4.67 0.00 peak 642 assign ( resid 113 and name HN ) ( resid 113 and name HD2+ ) 4.54 4.54 0.00 peak 647 assign ( resid 110 and name HA ) ( resid 113 and name HD2+ ) 4.40 4.40 0.00 peak 649 assign ( resid 42 and name HA2 ) ( resid 113 and name HD2+ ) 5.98 5.98 0.00 peak 650 assign ( resid 48 and name HA ) ( resid 48 and name HD+ ) 3.66 3.66 0.00 peak 674 assign ( resid 106 and name HA ) ( resid 109 and name HD1+ ) 3.40 3.40 0.00 peak 682 assign ( resid 71 and name HA ) ( resid 72 and name HN ) 3.22 3.22 0.00 peak 683 assign ( resid 19 and name HN ) ( resid 19 and name HB1 ) 3.84 3.84 0.00 peak 687 assign ( resid 3 and name HA ) ( resid 4 and name HD2 ) 3.51 3.51 0.00 peak 691 assign ( resid 16 and name HD1+ ) ( resid 20 and name HA ) 4.41 4.41 0.00 peak 692 assign ( resid 3 and name HA ) ( resid 3 and name HG2+ ) 3.46 3.46 0.00 peak 693 assign ( resid 24 and name HA ) ( resid 24 and name HG2+ ) 3.82 3.82 0.00 peak 696 assign ( resid 24 and name HA ) ( resid 40 and name HA ) 3.65 3.65 0.00 peak 698 assign ( resid 40 and name HA ) ( resid 41 and name HN ) 3.33 3.33 0.00 peak 701 assign ( resid 40 and name HA ) ( resid 40 and name HG2+ ) 3.59 3.59 0.00 peak 702 assign ( resid 92 and name HA ) ( resid 92 and name HD1+ ) 4.40 4.40 0.00 peak 710 assign ( resid 148 and name HN ) ( resid 149 and name HB1 ) 5.50 5.50 0.00 peak 729 assign ( resid 5 and name HA ) ( resid 63 and name HA ) 4.81 4.81 0.00 peak 735 assign ( resid 8 and name HA ) ( resid 8 and name HD1 ) 4.19 4.19 0.00 peak 740 assign ( resid 127 and name HB+ ) ( resid 128 and name HA ) 4.14 4.14 0.00 peak 755 assign ( resid 126 and name HB+ ) ( resid 127 and name HB+ ) 3.79 3.79 0.00 peak 756 assign ( resid 109 and name HA ) ( resid 109 and name HG2+ ) 3.63 3.63 0.00 peak 759 assign ( resid 87 and name HA ) ( resid 87 and name HG2+ ) 3.56 3.56 0.00 peak 761 assign ( resid 88 and name HB1 ) ( resid 122 and name HB+ ) 4.09 4.09 0.00 peak 762 assign ( resid 88 and name HB2 ) ( resid 122 and name HB+ ) 4.09 4.09 0.00 peak 763 assign ( resid 122 and name HB+ ) ( resid 123 and name HB2 ) 4.27 4.27 0.00 peak 763 assign ( resid 80 and name HA ) ( resid 122 and name HB+ ) 3.37 3.37 0.00 peak 764 assign ( resid 82 and name HE+ ) ( resid 122 and name HB+ ) 4.03 4.03 0.00 peak 765 assign ( resid 143 and name HN ) ( resid 143 and name HB+ ) 2.86 2.86 0.00 peak 770 assign ( resid 143 and name HB+ ) ( resid 144 and name HN ) 3.24 3.24 0.00 peak 771 assign ( resid 55 and name HG ) ( resid 109 and name HG2+ ) 4.08 4.08 0.00 peak 783 assign ( resid 127 and name HB+ ) ( resid 128 and name HN ) 3.20 3.20 0.00 peak 786 assign ( resid 127 and name HN ) ( resid 127 and name HB+ ) 3.00 3.00 0.00 peak 787 assign ( resid 51 and name HA1 ) ( resid 145 and name HG1+ ) 4.55 4.55 0.00 peak 798 assign ( resid 145 and name HG1+ ) ( resid 149 and name HD1 ) 4.66 4.66 0.00 peak 805 assign ( resid 145 and name HG1+ ) ( resid 146 and name HN ) 4.10 4.10 0.00 peak 806 assign ( resid 38 and name HN ) ( resid 38 and name HB+ ) 3.33 3.33 0.00 peak 807 assign ( resid 55 and name HA ) ( resid 73 and name HG ) 4.19 4.19 0.00 peak 812 assign ( resid 88 and name HN ) ( resid 88 and name HB1 ) 3.73 3.73 0.00 peak 816 assign ( resid 8 and name HA ) ( resid 11 and name HG1 ) 4.45 4.45 0.00 peak 820 assign ( resid 38 and name HB+ ) ( resid 106 and name HD1+ ) 3.41 3.41 0.00 peak 825 assign ( resid 38 and name HB+ ) ( resid 57 and name HD1+ ) 2.96 2.96 0.00 peak 826 assign ( resid 109 and name HA ) ( resid 112 and name HD2+ ) 4.51 4.51 0.00 peak 831 assign ( resid 128 and name HA ) ( resid 128 and name HG1 ) 3.71 3.71 0.00 peak 838 assign ( resid 115 and name HA ) ( resid 116 and name HD2 ) 3.42 3.42 0.00 peak 846 assign ( resid 35 and name HA ) ( resid 35 and name HG2 ) 4.07 4.07 0.00 peak 863 assign ( resid 41 and name HA ) ( resid 53 and name HN ) 3.99 3.99 0.00 peak 864 assign ( resid 35 and name HG1 ) ( resid 36 and name HN ) 4.60 4.60 0.00 peak 873 assign ( resid 35 and name HG2 ) ( resid 36 and name HN ) 4.60 4.60 0.00 peak 874 assign ( resid 44 and name HA ) ( resid 49 and name HB2 ) 4.09 4.09 0.00 peak 880 assign ( resid 120 and name HA ) ( resid 121 and name HD2 ) 3.72 3.72 0.00 peak 884 assign ( resid 149 and name HA ) ( resid 149 and name HD1 ) 3.15 3.15 0.00 peak 893 assign ( resid 130 and name HA ) ( resid 130 and name HD+ ) 4.37 4.37 0.00 peak 898 assign ( resid 117 and name HA ) ( resid 118 and name HD2 ) 3.61 3.61 0.00 peak 904 assign ( resid 46 and name HA ) ( resid 47 and name HD2 ) 3.51 3.51 0.00 peak 905 assign ( resid 11 and name HA ) ( resid 11 and name HG2 ) 4.09 4.09 0.00 peak 911 assign ( resid 11 and name HA ) ( resid 11 and name HG1 ) 4.09 4.09 0.00 peak 912 assign ( resid 57 and name HA ) ( resid 57 and name HD1+ ) 4.37 4.37 0.00 peak 914 assign ( resid 57 and name HA ) ( resid 70 and name HG1+ ) 4.89 4.89 0.00 peak 914 assign ( resid 57 and name HA ) ( resid 70 and name HG2+ ) 4.89 4.89 0.00 peak 914 assign ( resid 57 and name HA ) ( resid 57 and name HG2+ ) 3.54 3.54 0.00 peak 915 assign ( resid 134 and name HA ) ( resid 137 and name HB2 ) 3.74 3.74 0.00 peak 921 assign ( resid 5 and name HB+ ) ( resid 63 and name HB2 ) 5.11 5.11 0.00 peak 932 assign ( resid 4 and name HG2 ) ( resid 5 and name HB+ ) 4.49 4.49 0.00 peak 933 assign ( resid 27 and name HN ) ( resid 27 and name HB+ ) 3.18 3.18 0.00 peak 936 assign ( resid 6 and name HA ) ( resid 33 and name HD1+ ) 4.44 4.44 0.00 peak 937 assign ( resid 144 and name HN ) ( resid 144 and name HG11 ) 4.31 4.31 0.00 peak 948 assign ( resid 7 and name HN ) ( resid 7 and name HG2 ) 4.56 4.56 0.00 peak 952 assign ( resid 111 and name HA ) ( resid 114 and name HB1 ) 3.86 3.86 0.00 peak 962 assign ( resid 138 and name HA ) ( resid 141 and name HB ) 4.15 4.15 0.00 peak 965 assign ( resid 109 and name HB ) ( resid 110 and name HA ) 4.63 4.63 0.00 peak 968 assign ( resid 110 and name HA ) ( resid 110 and name HG2 ) 4.09 4.09 0.00 peak 970 assign ( resid 7 and name HA ) ( resid 7 and name HG1 ) 3.79 3.79 0.00 peak 971 assign ( resid 20 and name HA ) ( resid 21 and name HD2 ) 3.49 3.49 0.00 peak 987 assign ( resid 13 and name HD+ ) ( resid 27 and name HA ) 4.32 4.32 0.00 peak 988 assign ( resid 13 and name HE+ ) ( resid 27 and name HA ) 4.59 4.59 0.00 peak 989 assign ( resid 4 and name HD2 ) ( resid 5 and name HN ) 4.09 4.09 0.00 peak 991 assign ( resid 3 and name HA ) ( resid 4 and name HD1 ) 3.60 3.60 0.00 peak 993 assign ( resid 105 and name HD1+ ) ( resid 108 and name HN ) 5.39 5.39 0.00 peak 1010 assign ( resid 105 and name HD1+ ) ( resid 109 and name HN ) 5.50 5.50 0.00 peak 1010 assign ( resid 105 and name HD1+ ) ( resid 106 and name HA ) 4.23 4.23 0.00 peak 1012 assign ( resid 105 and name HA ) ( resid 105 and name HD1+ ) 3.62 3.62 0.00 peak 1013 assign ( resid 105 and name HB ) ( resid 105 and name HD1+ ) 3.45 3.45 0.00 peak 1014 assign ( resid 70 and name HB ) ( resid 105 and name HD1+ ) 4.16 4.16 0.00 peak 1015 assign ( resid 27 and name HA ) ( resid 28 and name HD1 ) 3.32 3.32 0.00 peak 1021 assign ( resid 27 and name HA ) ( resid 28 and name HG2 ) 4.72 4.72 0.00 peak 1024 assign ( resid 25 and name HB2 ) ( resid 26 and name HN ) 4.22 4.22 0.00 peak 1036 assign ( resid 79 and name HA ) ( resid 123 and name HN ) 5.50 5.50 0.00 peak 1037 assign ( resid 79 and name HA ) ( resid 126 and name HN ) 5.50 5.50 0.00 peak 1037 assign ( resid 81 and name HA ) ( resid 82 and name HA ) 4.37 4.37 0.00 peak 1039 assign ( resid 55 and name HA ) ( resid 72 and name HA ) 3.58 3.58 0.00 peak 1046 assign ( resid 71 and name HA ) ( resid 86 and name HA ) 4.15 4.15 0.00 peak 1047 assign ( resid 121 and name HA ) ( resid 127 and name HB+ ) 5.50 5.50 0.00 peak 1055 assign ( resid 121 and name HA ) ( resid 122 and name HB+ ) 4.10 4.10 0.00 peak 1056 assign ( resid 33 and name HA ) ( resid 33 and name HG11 ) 4.02 4.02 0.00 peak 1064 assign ( resid 77 and name HN ) ( resid 78 and name HA ) 5.43 5.43 0.00 peak 1073 assign ( resid 94 and name HA ) ( resid 96 and name HN ) 4.19 4.19 0.00 peak 1075 assign ( resid 107 and name HA ) ( resid 107 and name HG2+ ) 3.02 3.02 0.00 peak 1077 assign ( resid 46 and name HG2+ ) ( resid 114 and name HA ) 3.36 3.36 0.00 peak 1079 assign ( resid 46 and name HA ) ( resid 46 and name HG2+ ) 3.16 3.16 0.00 peak 1080 assign ( resid 99 and name HA ) ( resid 99 and name HG2+ ) 2.99 2.99 0.00 peak 1085 assign ( resid 69 and name HA ) ( resid 69 and name HG2+ ) 3.37 3.37 0.00 peak 1086 assign ( resid 43 and name HG1 ) ( resid 46 and name HG2+ ) 3.50 3.50 0.00 peak 1091 assign ( resid 40 and name HD1+ ) ( resid 109 and name HB ) 3.49 3.49 0.00 peak 1097 assign ( resid 40 and name HB ) ( resid 40 and name HD1+ ) 3.56 3.56 0.00 peak 1098 assign ( resid 40 and name HD1+ ) ( resid 110 and name HA ) 4.68 4.68 0.00 peak 1103 assign ( resid 40 and name HD1+ ) ( resid 106 and name HA ) 4.07 4.07 0.00 peak 1104 assign ( resid 91 and name HD1+ ) ( resid 104 and name HB1 ) 4.80 4.80 0.00 peak 1105 assign ( resid 91 and name HD1+ ) ( resid 108 and name HB1 ) 4.51 4.51 0.00 peak 1105 assign ( resid 91 and name HB ) ( resid 91 and name HD1+ ) 3.18 3.18 0.00 peak 1109 assign ( resid 40 and name HD1+ ) ( resid 72 and name HE+ ) 4.10 4.10 0.00 peak 1112 assign ( resid 91 and name HD1+ ) ( resid 96 and name HE3 ) 3.94 3.94 0.00 peak 1115 assign ( resid 40 and name HN ) ( resid 40 and name HD1+ ) 4.54 4.54 0.00 peak 1119 assign ( resid 26 and name HA1 ) ( resid 38 and name HA ) 3.69 3.69 0.00 peak 1124 assign ( resid 51 and name HA2 ) ( resid 145 and name HG1+ ) 4.55 4.55 0.00 peak 1129 assign ( resid 26 and name HA2 ) ( resid 38 and name HA ) 3.49 3.49 0.00 peak 1134 assign ( resid 26 and name HA1 ) ( resid 39 and name HN ) 4.79 4.79 0.00 peak 1138 assign ( resid 144 and name HA ) ( resid 144 and name HD1+ ) 4.21 4.21 0.00 peak 1166 assign ( resid 141 and name HA ) ( resid 144 and name HD1+ ) 4.18 4.18 0.00 peak 1167 assign ( resid 76 and name HA ) ( resid 144 and name HD1+ ) 3.61 3.61 0.00 peak 1168 assign ( resid 77 and name HN ) ( resid 144 and name HD1+ ) 3.82 3.82 0.00 peak 1169 assign ( resid 48 and name HD+ ) ( resid 144 and name HD1+ ) 4.25 4.25 0.00 peak 1170 assign ( resid 48 and name HE+ ) ( resid 144 and name HD1+ ) 3.86 3.86 0.00 peak 1172 assign ( resid 144 and name HD1+ ) ( resid 145 and name HN ) 3.95 3.95 0.00 peak 1173 assign ( resid 91 and name HA ) ( resid 95 and name HB2 ) 5.46 5.46 0.00 peak 1189 assign ( resid 91 and name HA ) ( resid 91 and name HD1+ ) 4.21 4.21 0.00 peak 1191 assign ( resid 22 and name HA ) ( resid 22 and name HG2+ ) 3.65 3.65 0.00 peak 1205 assign ( resid 22 and name HG1+ ) ( resid 24 and name HN ) 5.35 5.35 0.00 peak 1206 assign ( resid 69 and name HN ) ( resid 69 and name HG2+ ) 4.27 4.27 0.00 peak 1207 assign ( resid 22 and name HN ) ( resid 22 and name HG1+ ) 3.98 3.98 0.00 peak 1208 assign ( resid 39 and name HA ) ( resid 39 and name HG1+ ) 3.47 3.47 0.00 peak 1209 assign ( resid 51 and name HA1 ) ( resid 145 and name HG2+ ) 4.55 4.55 0.00 peak 1213 assign ( resid 145 and name HA ) ( resid 145 and name HG2+ ) 3.89 3.89 0.00 peak 1213 assign ( resid 144 and name HN ) ( resid 144 and name HG2+ ) 3.42 3.42 0.00 peak 1218 assign ( resid 52 and name HN ) ( resid 52 and name HG2+ ) 4.27 4.27 0.00 peak 1222 assign ( resid 24 and name HA ) ( resid 41 and name HN ) 4.45 4.45 0.00 peak 1225 assign ( resid 24 and name HA ) ( resid 24 and name HG1+ ) 3.82 3.82 0.00 peak 1230 assign ( resid 24 and name HG1+ ) ( resid 107 and name HA ) 4.23 4.23 0.00 peak 1233 assign ( resid 92 and name HA ) ( resid 92 and name HD2+ ) 4.40 4.40 0.00 peak 1234 assign ( resid 24 and name HG1+ ) ( resid 40 and name HA ) 4.57 4.57 0.00 peak 1235 assign ( resid 24 and name HN ) ( resid 24 and name HG1+ ) 4.05 4.05 0.00 peak 1237 assign ( resid 82 and name HE+ ) ( resid 88 and name HB2 ) 4.54 4.54 0.00 peak 1243 assign ( resid 88 and name HB2 ) ( resid 89 and name HN ) 4.79 4.79 0.00 peak 1245 assign ( resid 39 and name HA ) ( resid 55 and name HD1+ ) 4.56 4.56 0.00 peak 1247 assign ( resid 39 and name HA ) ( resid 55 and name HD2+ ) 5.25 5.25 0.00 peak 1247 assign ( resid 39 and name HG2+ ) ( resid 54 and name HE2 ) 5.50 5.50 0.00 peak 1255 assign ( resid 81 and name HG1+ ) ( resid 85 and name HA1 ) 5.50 5.50 0.00 peak 1256 assign ( resid 81 and name HG1+ ) ( resid 85 and name HA2 ) 5.50 5.50 0.00 peak 1257 assign ( resid 25 and name HN ) ( resid 39 and name HG2+ ) 4.98 4.98 0.00 peak 1259 assign ( resid 70 and name HA ) ( resid 70 and name HG1+ ) 3.72 3.72 0.00 peak 1268 assign ( resid 57 and name HG11 ) ( resid 70 and name HG1+ ) 5.43 5.43 0.00 peak 1272 assign ( resid 57 and name HG12 ) ( resid 70 and name HG2+ ) 5.43 5.43 0.00 peak 1278 assign ( resid 57 and name HG11 ) ( resid 70 and name HG2+ ) 5.43 5.43 0.00 peak 1278 assign ( resid 70 and name HA ) ( resid 70 and name HG2+ ) 3.72 3.72 0.00 peak 1284 assign ( resid 81 and name HA ) ( resid 81 and name HG1+ ) 3.92 3.92 0.00 peak 1284 assign ( resid 81 and name HA ) ( resid 81 and name HG2+ ) 3.92 3.92 0.00 peak 1285 assign ( resid 81 and name HG2+ ) ( resid 85 and name HA2 ) 5.50 5.50 0.00 peak 1286 assign ( resid 144 and name HG2+ ) ( resid 144 and name HG12 ) 3.85 3.85 0.00 peak 1288 assign ( resid 81 and name HG2+ ) ( resid 85 and name HA1 ) 5.50 5.50 0.00 peak 1289 assign ( resid 16 and name HG ) ( resid 20 and name HA ) 4.84 4.84 0.00 peak 1293 assign ( resid 20 and name HA ) ( resid 21 and name HD1 ) 3.49 3.49 0.00 peak 1294 assign ( resid 102 and name HA ) ( resid 105 and name HB ) 4.79 4.79 0.00 peak 1296 assign ( resid 102 and name HA ) ( resid 105 and name HN ) 4.39 4.39 0.00 peak 1301 assign ( resid 36 and name HE3 ) ( resid 102 and name HG2+ ) 3.82 3.82 0.00 peak 1315 assign ( resid 141 and name HA ) ( resid 144 and name HB ) 5.44 5.44 0.00 peak 1317 assign ( resid 141 and name HA ) ( resid 145 and name HB ) 5.50 5.50 0.00 peak 1317 assign ( resid 141 and name HA ) ( resid 144 and name HG12 ) 4.59 4.59 0.00 peak 1318 assign ( resid 141 and name HA ) ( resid 144 and name HG11 ) 4.59 4.59 0.00 peak 1319 assign ( resid 141 and name HA ) ( resid 144 and name HG2+ ) 4.50 4.50 0.00 peak 1320 assign ( resid 141 and name HA ) ( resid 141 and name HG1+ ) 3.78 3.78 0.00 peak 1321 assign ( resid 102 and name HN ) ( resid 102 and name HG1+ ) 4.07 4.07 0.00 peak 1339 assign ( resid 141 and name HA ) ( resid 141 and name HG2+ ) 3.78 3.78 0.00 peak 1340 assign ( resid 47 and name HB1 ) ( resid 141 and name HG2+ ) 5.40 5.40 0.00 peak 1343 assign ( resid 47 and name HB2 ) ( resid 141 and name HG2+ ) 4.36 4.36 0.00 peak 1346 assign ( resid 145 and name HA ) ( resid 145 and name HG1+ ) 3.89 3.89 0.00 peak 1355 assign ( resid 51 and name HA2 ) ( resid 145 and name HG2+ ) 4.55 4.55 0.00 peak 1364 assign ( resid 145 and name HG2+ ) ( resid 149 and name HD1 ) 4.66 4.66 0.00 peak 1365 assign ( resid 53 and name HE+ ) ( resid 145 and name HG2+ ) 4.90 4.90 0.00 peak 1366 assign ( resid 145 and name HG2+ ) ( resid 146 and name HN ) 4.10 4.10 0.00 peak 1367 assign ( resid 145 and name HN ) ( resid 145 and name HG2+ ) 3.99 3.99 0.00 peak 1370 assign ( resid 51 and name HN ) ( resid 145 and name HG2+ ) 4.31 4.31 0.00 peak 1371 assign ( resid 46 and name HG2+ ) ( resid 47 and name HD1 ) 4.45 4.45 0.00 peak 1377 assign ( resid 46 and name HG2+ ) ( resid 47 and name HD2 ) 4.37 4.37 0.00 peak 1380 assign ( resid 21 and name HB2 ) ( resid 107 and name HG2+ ) 3.74 3.74 0.00 peak 1381 assign ( resid 52 and name HA ) ( resid 52 and name HG2+ ) 3.47 3.47 0.00 peak 1387 assign ( resid 58 and name HG2 ) ( resid 69 and name HB ) 5.50 5.50 0.00 peak 1390 assign ( resid 58 and name HG1 ) ( resid 69 and name HB ) 5.50 5.50 0.00 peak 1390 assign ( resid 21 and name HB1 ) ( resid 107 and name HG2+ ) 3.74 3.74 0.00 peak 1403 assign ( resid 24 and name HG1+ ) ( resid 107 and name HG2+ ) 4.58 4.58 0.00 peak 1404 assign ( resid 136 and name HA ) ( resid 136 and name HG1 ) 4.11 4.11 0.00 peak 1415 assign ( resid 93 and name HN ) ( resid 93 and name HG2 ) 4.55 4.55 0.00 peak 1428 assign ( resid 93 and name HN ) ( resid 93 and name HG1 ) 4.55 4.55 0.00 peak 1429 assign ( resid 15 and name HA ) ( resid 18 and name HG2 ) 4.18 4.18 0.00 peak 1432 assign ( resid 15 and name HA ) ( resid 18 and name HG1 ) 4.18 4.18 0.00 peak 1433 assign ( resid 115 and name HN ) ( resid 115 and name HG2 ) 4.91 4.91 0.00 peak 1434 assign ( resid 115 and name HN ) ( resid 115 and name HG1 ) 4.91 4.91 0.00 peak 1434 assign ( resid 132 and name HN ) ( resid 132 and name HG2 ) 4.03 4.03 0.00 peak 1436 assign ( resid 132 and name HA ) ( resid 132 and name HG2 ) 3.82 3.82 0.00 peak 1438 assign ( resid 131 and name HA ) ( resid 131 and name HG1 ) 4.25 4.25 0.00 peak 1486 assign ( resid 131 and name HA ) ( resid 131 and name HG2 ) 4.25 4.25 0.00 peak 1488 assign ( resid 40 and name HG2+ ) ( resid 110 and name HG1 ) 4.24 4.24 0.00 peak 1489 assign ( resid 112 and name HA ) ( resid 115 and name HN ) 4.44 4.44 0.00 peak 1503 assign ( resid 36 and name HE3 ) ( resid 102 and name HG1+ ) 3.82 3.82 0.00 peak 1507 assign ( resid 106 and name HN ) ( resid 106 and name HD2+ ) 4.22 4.22 0.00 peak 1513 assign ( resid 35 and name HN ) ( resid 58 and name HA ) 5.50 5.50 0.00 peak 1534 assign ( resid 58 and name HA ) ( resid 69 and name HN ) 5.50 5.50 0.00 peak 1534 assign ( resid 29 and name HN ) ( resid 37 and name HB2 ) 4.42 4.42 0.00 peak 1540 assign ( resid 29 and name HN ) ( resid 37 and name HB1 ) 4.42 4.42 0.00 peak 1541 assign ( resid 18 and name HB2 ) ( resid 19 and name HB2 ) 5.50 5.50 0.00 peak 1545 assign ( resid 18 and name HB1 ) ( resid 19 and name HB2 ) 5.50 5.50 0.00 peak 1545 assign ( resid 18 and name HB2 ) ( resid 19 and name HB1 ) 5.50 5.50 0.00 peak 1546 assign ( resid 18 and name HB1 ) ( resid 19 and name HB1 ) 5.50 5.50 0.00 peak 1546 assign ( resid 106 and name HB1 ) ( resid 107 and name HA ) 4.56 4.56 0.00 peak 1560 assign ( resid 4 and name HG2 ) ( resid 5 and name HA ) 4.90 4.90 0.00 peak 1581 assign ( resid 127 and name HB+ ) ( resid 128 and name HB2 ) 5.30 5.30 0.00 peak 1590 assign ( resid 127 and name HB+ ) ( resid 128 and name HB1 ) 5.30 5.30 0.00 peak 1590 assign ( resid 121 and name HA ) ( resid 123 and name HN ) 4.22 4.22 0.00 peak 1599 assign ( resid 91 and name HD1+ ) ( resid 105 and name HB ) 4.16 4.16 0.00 peak 1620 assign ( resid 95 and name HA ) ( resid 95 and name HD2 ) 4.80 4.80 0.00 peak 1624 assign ( resid 95 and name HA ) ( resid 95 and name HD1 ) 4.80 4.80 0.00 peak 1624 assign ( resid 138 and name HA ) ( resid 141 and name HG2+ ) 4.43 4.43 0.00 peak 1631 assign ( resid 11 and name HA ) ( resid 11 and name HD2 ) 5.50 5.50 0.00 peak 1632 assign ( resid 11 and name HA ) ( resid 11 and name HD1 ) 5.50 5.50 0.00 peak 1632 assign ( resid 57 and name HA ) ( resid 59 and name HE+ ) 5.40 5.40 0.00 peak 1634 assign ( resid 9 and name HB1 ) ( resid 9 and name HD1+ ) 4.05 4.05 0.00 peak 1676 assign ( resid 5 and name HB+ ) ( resid 9 and name HD1+ ) 5.50 5.50 0.00 peak 1677 assign ( resid 9 and name HD1+ ) ( resid 59 and name HB2 ) 4.78 4.78 0.00 peak 1679 assign ( resid 9 and name HA ) ( resid 9 and name HD1+ ) 4.40 4.40 0.00 peak 1682 assign ( resid 9 and name HD1+ ) ( resid 36 and name HZ2 ) 4.77 4.77 0.00 peak 1683 assign ( resid 9 and name HN ) ( resid 9 and name HD1+ ) 4.39 4.39 0.00 peak 1684 assign ( resid 9 and name HD2+ ) ( resid 33 and name HD1+ ) 4.31 4.31 0.00 peak 1689 assign ( resid 9 and name HB1 ) ( resid 9 and name HD2+ ) 4.05 4.05 0.00 peak 1690 assign ( resid 5 and name HB+ ) ( resid 9 and name HD2+ ) 5.50 5.50 0.00 peak 1692 assign ( resid 9 and name HB2 ) ( resid 9 and name HD2+ ) 4.05 4.05 0.00 peak 1693 assign ( resid 9 and name HD2+ ) ( resid 59 and name HB2 ) 4.78 4.78 0.00 peak 1694 assign ( resid 9 and name HD2+ ) ( resid 59 and name HB1 ) 4.78 4.78 0.00 peak 1694 assign ( resid 9 and name HD2+ ) ( resid 59 and name HD+ ) 4.34 4.34 0.00 peak 1699 assign ( resid 9 and name HD2+ ) ( resid 36 and name HZ2 ) 4.77 4.77 0.00 peak 1702 assign ( resid 9 and name HN ) ( resid 9 and name HD2+ ) 4.39 4.39 0.00 peak 1703 assign ( resid 9 and name HD2+ ) ( resid 36 and name HE1 ) 4.43 4.43 0.00 peak 1704 assign ( resid 12 and name HA ) ( resid 15 and name HB1 ) 4.55 4.55 0.00 peak 1743 assign ( resid 91 and name HG11 ) ( resid 96 and name HA ) 5.27 5.27 0.00 peak 1767 assign ( resid 14 and name HA ) ( resid 14 and name HD2 ) 4.50 4.50 0.00 peak 1778 assign ( resid 14 and name HA ) ( resid 14 and name HD1 ) 4.50 4.50 0.00 peak 1778 assign ( resid 139 and name HA ) ( resid 139 and name HG1 ) 4.08 4.08 0.00 peak 1781 assign ( resid 39 and name HG2+ ) ( resid 54 and name HE1 ) 5.50 5.50 0.00 peak 1814 assign ( resid 75 and name HA ) ( resid 75 and name HE2 ) 4.33 4.33 0.00 peak 1818 assign ( resid 39 and name HG1+ ) ( resid 54 and name HA ) 4.36 4.36 0.00 peak 1823 assign ( resid 14 and name HA ) ( resid 17 and name HG2 ) 5.33 5.33 0.00 peak 1826 assign ( resid 14 and name HA ) ( resid 17 and name HG1 ) 5.33 5.33 0.00 peak 1826 assign ( resid 54 and name HA ) ( resid 54 and name HD2 ) 5.23 5.23 0.00 peak 1836 assign ( resid 54 and name HA ) ( resid 54 and name HD1 ) 5.23 5.23 0.00 peak 1836 assign ( resid 109 and name HA ) ( resid 112 and name HD1+ ) 4.51 4.51 0.00 peak 1839 assign ( resid 130 and name HE+ ) ( resid 131 and name HA ) 5.19 5.19 0.00 peak 1858 assign ( resid 47 and name HB2 ) ( resid 141 and name HG1+ ) 4.36 4.36 0.00 peak 1872 assign ( resid 14 and name HA ) ( resid 14 and name HG1 ) 4.10 4.10 0.00 peak 1874 assign ( resid 16 and name HA ) ( resid 16 and name HD2+ ) 4.19 4.19 0.00 peak 1877 assign ( resid 134 and name HB2 ) ( resid 135 and name HN ) 4.82 4.82 0.00 peak 1942 assign ( resid 134 and name HB1 ) ( resid 135 and name HN ) 4.82 4.82 0.00 peak 1942 assign ( resid 75 and name HA ) ( resid 75 and name HE1 ) 4.33 4.33 0.00 peak 1951 assign ( resid 139 and name HA ) ( resid 142 and name HN ) 4.38 4.38 0.00 peak 1960 assign ( resid 131 and name HN ) ( resid 131 and name HG1 ) 3.92 3.92 0.00 peak 2002 assign ( resid 40 and name HG2+ ) ( resid 55 and name HD1+ ) 4.25 4.25 0.00 peak 2022 assign ( resid 55 and name HD1+ ) ( resid 72 and name HZ ) 4.90 4.90 0.00 peak 2024 assign ( resid 55 and name HN ) ( resid 55 and name HD1+ ) 4.15 4.15 0.00 peak 2025 assign ( resid 54 and name HA ) ( resid 55 and name HD1+ ) 4.47 4.47 0.00 peak 2028 assign ( resid 53 and name HB2 ) ( resid 55 and name HD1+ ) 5.50 5.50 0.00 peak 2029 assign ( resid 53 and name HB1 ) ( resid 55 and name HD1+ ) 5.50 5.50 0.00 peak 2029 assign ( resid 40 and name HB ) ( resid 55 and name HD1+ ) 4.20 4.20 0.00 peak 2030 assign ( resid 40 and name HG12 ) ( resid 55 and name HD1+ ) 4.00 4.00 0.00 peak 2031 assign ( resid 38 and name HB+ ) ( resid 55 and name HD1+ ) 3.87 3.87 0.00 peak 2032 assign ( resid 55 and name HG ) ( resid 72 and name HE+ ) 4.23 4.23 0.00 peak 2037 assign ( resid 40 and name HN ) ( resid 55 and name HG ) 5.41 5.41 0.00 peak 2040 assign ( resid 55 and name HG ) ( resid 56 and name HN ) 5.50 5.50 0.00 peak 2040 assign ( resid 40 and name HD1+ ) ( resid 55 and name HG ) 3.55 3.55 0.00 peak 2045 assign ( resid 40 and name HG12 ) ( resid 55 and name HG ) 5.05 5.05 0.00 peak 2051 assign ( resid 40 and name HB ) ( resid 55 and name HG ) 5.36 5.36 0.00 peak 2052 assign ( resid 55 and name HG ) ( resid 109 and name HB ) 5.50 5.50 0.00 peak 2052 assign ( resid 114 and name HN ) ( resid 115 and name HA ) 5.50 5.50 0.00 peak 2072 assign ( resid 46 and name HG2+ ) ( resid 48 and name HB2 ) 4.72 4.72 0.00 peak 2094 assign ( resid 48 and name HA ) ( resid 50 and name HN ) 4.61 4.61 0.00 peak 2119 assign ( resid 79 and name HA ) ( resid 123 and name HB2 ) 5.18 5.18 0.00 peak 2127 assign ( resid 79 and name HA ) ( resid 123 and name HB1 ) 5.40 5.40 0.00 peak 2127 assign ( resid 44 and name HG2 ) ( resid 45 and name HN ) 4.47 4.47 0.00 peak 2139 assign ( resid 44 and name HN ) ( resid 44 and name HG1 ) 4.83 4.83 0.00 peak 2140 assign ( resid 44 and name HN ) ( resid 44 and name HG2 ) 4.83 4.83 0.00 peak 2141 assign ( resid 123 and name HB1 ) ( resid 126 and name HB+ ) 3.90 3.90 0.00 peak 2144 assign ( resid 78 and name HA ) ( resid 126 and name HB+ ) 5.10 5.10 0.00 peak 2147 assign ( resid 123 and name HA ) ( resid 126 and name HB+ ) 5.48 5.48 0.00 peak 2147 assign ( resid 105 and name HG2+ ) ( resid 105 and name HD1+ ) 3.78 3.78 0.00 peak 2165 assign ( resid 25 and name HN ) ( resid 40 and name HG2+ ) 5.47 5.47 0.00 peak 2173 assign ( resid 104 and name HA ) ( resid 105 and name HA ) 5.06 5.06 0.00 peak 2179 assign ( resid 105 and name HA ) ( resid 108 and name HA ) 5.50 5.50 0.00 peak 2179 assign ( resid 105 and name HA ) ( resid 108 and name HB1 ) 4.20 4.20 0.00 peak 2180 assign ( resid 105 and name HD1+ ) ( resid 109 and name HD1+ ) 3.22 3.22 0.00 peak 2187 assign ( resid 40 and name HG2+ ) ( resid 40 and name HG12 ) 3.46 3.46 0.00 peak 2200 assign ( resid 40 and name HG12 ) ( resid 41 and name HN ) 5.40 5.40 0.00 peak 2201 assign ( resid 35 and name HB1 ) ( resid 36 and name HN ) 4.75 4.75 0.00 peak 2209 assign ( resid 15 and name HN ) ( resid 15 and name HG2 ) 5.25 5.25 0.00 peak 2213 assign ( resid 15 and name HN ) ( resid 15 and name HG1 ) 5.25 5.25 0.00 peak 2213 assign ( resid 5 and name HN ) ( resid 63 and name HA ) 4.66 4.66 0.00 peak 2225 assign ( resid 62 and name HN ) ( resid 62 and name HG1 ) 4.71 4.71 0.00 peak 2244 assign ( resid 139 and name HA ) ( resid 139 and name HD2 ) 4.71 4.71 0.00 peak 2250 assign ( resid 139 and name HA ) ( resid 139 and name HD1 ) 4.71 4.71 0.00 peak 2250 assign ( resid 28 and name HA ) ( resid 36 and name HD1 ) 4.48 4.48 0.00 peak 2257 assign ( resid 129 and name HB1 ) ( resid 137 and name HA ) 5.50 5.50 0.00 peak 2276 assign ( resid 147 and name HN ) ( resid 149 and name HB2 ) 5.47 5.47 0.00 peak 2277 assign ( resid 3 and name HB ) ( resid 4 and name HD1 ) 3.93 3.93 0.00 peak 2280 assign ( resid 3 and name HB ) ( resid 4 and name HD2 ) 4.04 4.04 0.00 peak 2281 assign ( resid 95 and name HA ) ( resid 95 and name HG2 ) 4.02 4.02 0.00 peak 2314 assign ( resid 95 and name HA ) ( resid 95 and name HG1 ) 4.02 4.02 0.00 peak 2315 assign ( resid 123 and name HB1 ) ( resid 126 and name HN ) 5.11 5.11 0.00 peak 2326 assign ( resid 128 and name HA ) ( resid 128 and name HG2 ) 3.71 3.71 0.00 peak 2333 assign ( resid 139 and name HN ) ( resid 139 and name HD2 ) 5.50 5.50 0.00 peak 2352 assign ( resid 139 and name HN ) ( resid 139 and name HD1 ) 5.50 5.50 0.00 peak 2352 assign ( resid 16 and name HA ) ( resid 20 and name HA ) 4.25 4.25 0.00 peak 2358 assign ( resid 73 and name HN ) ( resid 73 and name HG ) 4.31 4.31 0.00 peak 2372 assign ( resid 92 and name HN ) ( resid 92 and name HG ) 4.52 4.52 0.00 peak 2373 assign ( resid 57 and name HA ) ( resid 71 and name HN ) 4.27 4.27 0.00 peak 2376 assign ( resid 71 and name HB2 ) ( resid 72 and name HN ) 4.48 4.48 0.00 peak 2391 assign ( resid 91 and name HG12 ) ( resid 96 and name HA ) 5.27 5.27 0.00 peak 2395 assign ( resid 71 and name HB2 ) ( resid 86 and name HA ) 4.77 4.77 0.00 peak 2400 assign ( resid 79 and name HA ) ( resid 127 and name HA ) 4.47 4.47 0.00 peak 2411 assign ( resid 96 and name HA ) ( resid 97 and name HA ) 4.43 4.43 0.00 peak 2421 assign ( resid 71 and name HB1 ) ( resid 86 and name HA ) 4.77 4.77 0.00 peak 2435 assign ( resid 129 and name HN ) ( resid 129 and name HD2+ ) 4.16 4.16 0.00 peak 2445 assign ( resid 40 and name HG11 ) ( resid 55 and name HD1+ ) 3.23 3.23 0.00 peak 2451 assign ( resid 129 and name HB1 ) ( resid 129 and name HD1+ ) 3.70 3.70 0.00 peak 2463 assign ( resid 129 and name HD1+ ) ( resid 133 and name HN ) 5.50 5.50 0.00 peak 2469 assign ( resid 130 and name HA ) ( resid 134 and name HA ) 4.33 4.33 0.00 peak 2475 assign ( resid 100 and name HB1 ) ( resid 101 and name HN ) 4.41 4.41 0.00 peak 2490 assign ( resid 134 and name HA ) ( resid 138 and name HN ) 4.64 4.64 0.00 peak 2493 assign ( resid 134 and name HA ) ( resid 137 and name HD+ ) 4.87 4.87 0.00 peak 2494 assign ( resid 134 and name HA ) ( resid 137 and name HN ) 5.11 5.11 0.00 peak 2496 assign ( resid 135 and name HA ) ( resid 138 and name HG2 ) 4.77 4.77 0.00 peak 2525 assign ( resid 139 and name HA ) ( resid 139 and name HE2 ) 5.50 5.50 0.00 peak 2528 assign ( resid 139 and name HA ) ( resid 139 and name HE1 ) 5.50 5.50 0.00 peak 2528 assign ( resid 140 and name HA ) ( resid 140 and name HD2 ) 4.09 4.09 0.00 peak 2549 assign ( resid 140 and name HA ) ( resid 140 and name HD1 ) 4.09 4.09 0.00 peak 2550 assign ( resid 140 and name HN ) ( resid 140 and name HG2 ) 4.64 4.64 0.00 peak 2561 assign ( resid 143 and name HB+ ) ( resid 144 and name HA ) 3.96 3.96 0.00 peak 2569 assign ( resid 140 and name HA ) ( resid 143 and name HB+ ) 3.70 3.70 0.00 peak 2570 assign ( resid 143 and name HB+ ) ( resid 147 and name HG2 ) 5.05 5.05 0.00 peak 2572 assign ( resid 143 and name HB+ ) ( resid 147 and name HG1 ) 5.05 5.05 0.00 peak 2573 assign ( resid 121 and name HB2 ) ( resid 127 and name HB+ ) 4.64 4.64 0.00 peak 2574 assign ( resid 121 and name HB1 ) ( resid 127 and name HB+ ) 4.64 4.64 0.00 peak 2574 assign ( resid 142 and name HN ) ( resid 143 and name HB+ ) 4.64 4.64 0.00 peak 2576 assign ( resid 143 and name HB+ ) ( resid 145 and name HN ) 4.65 4.65 0.00 peak 2577 assign ( resid 144 and name HB ) ( resid 145 and name HN ) 4.73 4.73 0.00 peak 2584 assign ( resid 141 and name HG1+ ) ( resid 144 and name HD1+ ) 4.45 4.45 0.00 peak 2586 assign ( resid 141 and name HG2+ ) ( resid 144 and name HD1+ ) 4.45 4.45 0.00 peak 2587 assign ( resid 77 and name HB1 ) ( resid 144 and name HD1+ ) 4.69 4.69 0.00 peak 2589 assign ( resid 77 and name HB2 ) ( resid 144 and name HD1+ ) 4.69 4.69 0.00 peak 2590 assign ( resid 77 and name HD+ ) ( resid 144 and name HD1+ ) 5.00 5.00 0.00 peak 2591 assign ( resid 144 and name HA ) ( resid 144 and name HG2+ ) 3.36 3.36 0.00 peak 2595 assign ( resid 144 and name HG2+ ) ( resid 144 and name HG11 ) 3.85 3.85 0.00 peak 2597 assign ( resid 13 and name HE+ ) ( resid 27 and name HB+ ) 3.58 3.58 0.00 peak 2598 assign ( resid 53 and name HE+ ) ( resid 145 and name HG1+ ) 4.90 4.90 0.00 peak 2605 assign ( resid 80 and name HA ) ( resid 121 and name HA ) 5.13 5.13 0.00 peak 2606 assign ( resid 22 and name HA ) ( resid 24 and name HN ) 4.87 4.87 0.00 peak 2617 assign ( resid 117 and name HB1 ) ( resid 118 and name HD2 ) 5.50 5.50 0.00 peak 2636 assign ( resid 47 and name HD2 ) ( resid 48 and name HB2 ) 5.50 5.50 0.00 peak 2637 assign ( resid 117 and name HB1 ) ( resid 118 and name HD1 ) 5.50 5.50 0.00 peak 2637 assign ( resid 117 and name HA ) ( resid 118 and name HG2 ) 5.27 5.27 0.00 peak 2643 assign ( resid 117 and name HA ) ( resid 118 and name HG1 ) 5.27 5.27 0.00 peak 2643 assign ( resid 116 and name HB2 ) ( resid 117 and name HB1 ) 5.50 5.50 0.00 peak 2648 assign ( resid 116 and name HB2 ) ( resid 117 and name HB2 ) 5.50 5.50 0.00 peak 2649 assign ( resid 117 and name HB2 ) ( resid 118 and name HD2 ) 5.50 5.50 0.00 peak 2650 assign ( resid 106 and name HB1 ) ( resid 106 and name HD1+ ) 4.13 4.13 0.00 peak 2669 assign ( resid 114 and name HB1 ) ( resid 115 and name HG2 ) 4.75 4.75 0.00 peak 2676 assign ( resid 114 and name HB1 ) ( resid 115 and name HG1 ) 4.75 4.75 0.00 peak 2676 assign ( resid 46 and name HG2+ ) ( resid 114 and name HB1 ) 5.13 5.13 0.00 peak 2681 assign ( resid 28 and name HG2 ) ( resid 29 and name HA ) 5.50 5.50 0.00 peak 2693 assign ( resid 43 and name HD1 ) ( resid 113 and name HD1+ ) 4.67 4.67 0.00 peak 2695 assign ( resid 106 and name HA ) ( resid 109 and name HB ) 4.62 4.62 0.00 peak 2713 assign ( resid 40 and name HG2+ ) ( resid 109 and name HG2+ ) 4.07 4.07 0.00 peak 2721 assign ( resid 87 and name HG12 ) ( resid 109 and name HG2+ ) 4.35 4.35 0.00 peak 2721 assign ( resid 87 and name HG2+ ) ( resid 87 and name HD1+ ) 3.15 3.15 0.00 peak 2723 assign ( resid 72 and name HD+ ) ( resid 109 and name HG2+ ) 4.44 4.44 0.00 peak 2727 assign ( resid 72 and name HE+ ) ( resid 109 and name HG2+ ) 3.92 3.92 0.00 peak 2728 assign ( resid 91 and name HN ) ( resid 91 and name HG2+ ) 4.12 4.12 0.00 peak 2731 assign ( resid 55 and name HG ) ( resid 109 and name HD1+ ) 3.64 3.64 0.00 peak 2733 assign ( resid 55 and name HG ) ( resid 87 and name HD1+ ) 4.26 4.26 0.00 peak 2734 assign ( resid 105 and name HG2+ ) ( resid 109 and name HD1+ ) 5.01 5.01 0.00 peak 2735 assign ( resid 70 and name HB ) ( resid 109 and name HD1+ ) 4.62 4.62 0.00 peak 2736 assign ( resid 87 and name HB ) ( resid 109 and name HD1+ ) 4.93 4.93 0.00 peak 2736 assign ( resid 87 and name HN ) ( resid 109 and name HD1+ ) 5.50 5.50 0.00 peak 2743 assign ( resid 106 and name HN ) ( resid 109 and name HD1+ ) 5.50 5.50 0.00 peak 2743 assign ( resid 43 and name HD2 ) ( resid 46 and name HG2+ ) 5.10 5.10 0.00 peak 2753 assign ( resid 106 and name HB1 ) ( resid 107 and name HN ) 4.81 4.81 0.00 peak 2761 assign ( resid 24 and name HG1+ ) ( resid 106 and name HB1 ) 4.24 4.24 0.00 peak 2764 assign ( resid 106 and name HN ) ( resid 106 and name HG ) 4.76 4.76 0.00 peak 2776 assign ( resid 106 and name HA ) ( resid 106 and name HD2+ ) 4.31 4.31 0.00 peak 2777 assign ( resid 38 and name HB+ ) ( resid 106 and name HD2+ ) 3.41 3.41 0.00 peak 2782 assign ( resid 40 and name HG12 ) ( resid 106 and name HD2+ ) 4.60 4.60 0.00 peak 2787 assign ( resid 26 and name HN ) ( resid 106 and name HD2+ ) 5.50 5.50 0.00 peak 2788 assign ( resid 72 and name HZ ) ( resid 87 and name HG12 ) 4.68 4.68 0.00 peak 2842 assign ( resid 87 and name HN ) ( resid 87 and name HG12 ) 4.40 4.40 0.00 peak 2844 assign ( resid 72 and name HN ) ( resid 87 and name HG12 ) 5.40 5.40 0.00 peak 2846 assign ( resid 87 and name HG2+ ) ( resid 87 and name HG11 ) 4.07 4.07 0.00 peak 2853 assign ( resid 87 and name HG2+ ) ( resid 89 and name HG ) 5.01 5.01 0.00 peak 2857 assign ( resid 87 and name HG2+ ) ( resid 87 and name HG12 ) 3.08 3.08 0.00 peak 2858 assign ( resid 72 and name HE+ ) ( resid 87 and name HG2+ ) 4.23 4.23 0.00 peak 2859 assign ( resid 72 and name HZ ) ( resid 87 and name HG2+ ) 4.98 4.98 0.00 peak 2860 assign ( resid 87 and name HB ) ( resid 87 and name HD1+ ) 3.50 3.50 0.00 peak 2864 assign ( resid 87 and name HD1+ ) ( resid 109 and name HG2+ ) 3.95 3.95 0.00 peak 2866 assign ( resid 87 and name HD1+ ) ( resid 109 and name HA ) 5.50 5.50 0.00 peak 2872 assign ( resid 87 and name HN ) ( resid 87 and name HD1+ ) 4.06 4.06 0.00 peak 2875 assign ( resid 72 and name HN ) ( resid 87 and name HD1+ ) 4.43 4.43 0.00 peak 2876 assign ( resid 89 and name HA ) ( resid 89 and name HG ) 3.84 3.84 0.00 peak 2884 assign ( resid 89 and name HG ) ( resid 109 and name HA ) 4.24 4.24 0.00 peak 2885 assign ( resid 40 and name HG12 ) ( resid 106 and name HD1+ ) 4.60 4.60 0.00 peak 2893 assign ( resid 91 and name HA ) ( resid 95 and name HB1 ) 5.46 5.46 0.00 peak 2897 assign ( resid 91 and name HG2+ ) ( resid 91 and name HD1+ ) 3.07 3.07 0.00 peak 2901 assign ( resid 57 and name HG2+ ) ( resid 57 and name HD1+ ) 3.30 3.30 0.00 peak 2903 assign ( resid 91 and name HD1+ ) ( resid 104 and name HB2 ) 4.80 4.80 0.00 peak 2907 assign ( resid 91 and name HD1+ ) ( resid 108 and name HA ) 5.50 5.50 0.00 peak 2908 assign ( resid 91 and name HD1+ ) ( resid 108 and name HN ) 5.50 5.50 0.00 peak 2909 assign ( resid 91 and name HD1+ ) ( resid 105 and name HN ) 4.44 4.44 0.00 peak 2910 assign ( resid 57 and name HD1+ ) ( resid 71 and name HN ) 5.50 5.50 0.00 peak 2912 assign ( resid 56 and name HB ) ( resid 57 and name HD1+ ) 5.46 5.46 0.00 peak 2916 assign ( resid 91 and name HG2+ ) ( resid 91 and name HG12 ) 3.98 3.98 0.00 peak 2920 assign ( resid 91 and name HG2+ ) ( resid 91 and name HG11 ) 3.98 3.98 0.00 peak 2923 assign ( resid 92 and name HN ) ( resid 92 and name HD1+ ) 4.43 4.43 0.00 peak 2934 assign ( resid 93 and name HA ) ( resid 93 and name HG1 ) 3.98 3.98 0.00 peak 2938 assign ( resid 93 and name HA ) ( resid 93 and name HG2 ) 3.98 3.98 0.00 peak 2939 assign ( resid 35 and name HA ) ( resid 58 and name HG2 ) 5.50 5.50 0.00 peak 2966 assign ( resid 35 and name HA ) ( resid 58 and name HG1 ) 5.50 5.50 0.00 peak 2966 assign ( resid 58 and name HG2 ) ( resid 59 and name HN ) 5.26 5.26 0.00 peak 2967 assign ( resid 58 and name HG1 ) ( resid 59 and name HN ) 5.26 5.26 0.00 peak 2967 assign ( resid 57 and name HB ) ( resid 57 and name HD1+ ) 4.06 4.06 0.00 peak 2976 assign ( resid 36 and name HB2 ) ( resid 57 and name HG2+ ) 4.27 4.27 0.00 peak 2979 assign ( resid 57 and name HG2+ ) ( resid 59 and name HE+ ) 3.88 3.88 0.00 peak 2987 assign ( resid 57 and name HG2+ ) ( resid 59 and name HZ ) 4.06 4.06 0.00 peak 2988 assign ( resid 57 and name HG2+ ) ( resid 59 and name HD+ ) 4.42 4.42 0.00 peak 2989 assign ( resid 57 and name HG2+ ) ( resid 70 and name HN ) 5.19 5.19 0.00 peak 2991 assign ( resid 57 and name HG2+ ) ( resid 71 and name HN ) 5.50 5.50 0.00 peak 2991 assign ( resid 57 and name HD1+ ) ( resid 70 and name HA ) 4.88 4.88 0.00 peak 2999 assign ( resid 37 and name HA ) ( resid 57 and name HD1+ ) 4.72 4.72 0.00 peak 3000 assign ( resid 38 and name HA ) ( resid 57 and name HD1+ ) 5.06 5.06 0.00 peak 3000 assign ( resid 56 and name HA ) ( resid 57 and name HD1+ ) 4.70 4.70 0.00 peak 3001 assign ( resid 57 and name HD1+ ) ( resid 59 and name HE+ ) 4.71 4.71 0.00 peak 3002 assign ( resid 56 and name HN ) ( resid 57 and name HD1+ ) 4.75 4.75 0.00 peak 3004 assign ( resid 56 and name HB ) ( resid 73 and name HG ) 4.56 4.56 0.00 peak 3005 assign ( resid 5 and name HA ) ( resid 64 and name HA ) 4.14 4.14 0.00 peak 3023 assign ( resid 53 and name HA ) ( resid 53 and name HD+ ) 3.85 3.85 0.00 peak 3027 assign ( resid 55 and name HN ) ( resid 55 and name HG ) 4.69 4.69 0.00 peak 3030 assign ( resid 43 and name HD2 ) ( resid 113 and name HD1+ ) 4.67 4.67 0.00 peak 3033 assign ( resid 43 and name HD1 ) ( resid 46 and name HG2+ ) 5.10 5.10 0.00 peak 3040 assign ( resid 23 and name HA2 ) ( resid 41 and name HD+ ) 4.92 4.92 0.00 peak 3047 assign ( resid 41 and name HA ) ( resid 52 and name HG2+ ) 4.55 4.55 0.00 peak 3049 assign ( resid 24 and name HG2+ ) ( resid 40 and name HA ) 4.57 4.57 0.00 peak 3056 assign ( resid 40 and name HD1+ ) ( resid 109 and name HN ) 4.51 4.51 0.00 peak 3063 assign ( resid 40 and name HD1+ ) ( resid 110 and name HN ) 4.75 4.75 0.00 peak 3063 assign ( resid 40 and name HA ) ( resid 40 and name HD1+ ) 4.48 4.48 0.00 peak 3064 assign ( resid 40 and name HD1+ ) ( resid 110 and name HG1 ) 5.50 5.50 0.00 peak 3065 assign ( resid 40 and name HD1+ ) ( resid 110 and name HG2 ) 5.50 5.50 0.00 peak 3066 assign ( resid 40 and name HD1+ ) ( resid 106 and name HB1 ) 5.43 5.43 0.00 peak 3067 assign ( resid 40 and name HG2+ ) ( resid 40 and name HD1+ ) 3.06 3.06 0.00 peak 3068 assign ( resid 40 and name HD1+ ) ( resid 109 and name HG2+ ) 3.19 3.19 0.00 peak 3069 assign ( resid 40 and name HD1+ ) ( resid 109 and name HD1+ ) 3.06 3.06 0.00 peak 3069 assign ( resid 40 and name HD1+ ) ( resid 55 and name HD1+ ) 3.66 3.66 0.00 peak 3071 assign ( resid 24 and name HB ) ( resid 40 and name HG2+ ) 4.68 4.68 0.00 peak 3075 assign ( resid 40 and name HG2+ ) ( resid 55 and name HG ) 5.26 5.26 0.00 peak 3077 assign ( resid 38 and name HB+ ) ( resid 55 and name HN ) 4.47 4.47 0.00 peak 3084 assign ( resid 26 and name HA2 ) ( resid 38 and name HB+ ) 3.90 3.90 0.00 peak 3085 assign ( resid 38 and name HB+ ) ( resid 39 and name HA ) 4.78 4.78 0.00 peak 3086 assign ( resid 38 and name HB+ ) ( resid 56 and name HA ) 5.06 5.06 0.00 peak 3086 assign ( resid 38 and name HB+ ) ( resid 57 and name HG2+ ) 5.50 5.50 0.00 peak 3089 assign ( resid 37 and name HA ) ( resid 38 and name HB+ ) 4.42 4.42 0.00 peak 3092 assign ( resid 27 and name HN ) ( resid 37 and name HA ) 5.50 5.50 0.00 peak 3094 assign ( resid 40 and name HG2+ ) ( resid 41 and name HA ) 5.09 5.09 0.00 peak 3095 assign ( resid 29 and name HN ) ( resid 36 and name HB1 ) 5.50 5.50 0.00 peak 3098 assign ( resid 36 and name HB1 ) ( resid 38 and name HN ) 5.50 5.50 0.00 peak 3098 assign ( resid 36 and name HB1 ) ( resid 57 and name HN ) 5.50 5.50 0.00 peak 3099 assign ( resid 35 and name HB2 ) ( resid 36 and name HN ) 4.75 4.75 0.00 peak 3100 assign ( resid 40 and name HG2+ ) ( resid 41 and name HN ) 3.61 3.61 0.00 peak 3109 assign ( resid 40 and name HG2+ ) ( resid 53 and name HB1 ) 5.50 5.50 0.00 peak 3111 assign ( resid 33 and name HG2+ ) ( resid 34 and name HG2 ) 4.41 4.41 0.00 peak 3112 assign ( resid 28 and name HB2 ) ( resid 33 and name HA ) 4.63 4.63 0.00 peak 3117 assign ( resid 28 and name HB1 ) ( resid 33 and name HA ) 4.63 4.63 0.00 peak 3118 assign ( resid 27 and name HB+ ) ( resid 28 and name HG2 ) 4.31 4.31 0.00 peak 3133 assign ( resid 16 and name HD1+ ) ( resid 26 and name HA1 ) 5.38 5.38 0.00 peak 3134 assign ( resid 16 and name HD2+ ) ( resid 26 and name HA1 ) 5.38 5.38 0.00 peak 3134 assign ( resid 26 and name HA1 ) ( resid 27 and name HB+ ) 4.60 4.60 0.00 peak 3135 assign ( resid 26 and name HA2 ) ( resid 27 and name HB+ ) 4.83 4.83 0.00 peak 3136 assign ( resid 24 and name HG2+ ) ( resid 25 and name HN ) 3.96 3.96 0.00 peak 3142 assign ( resid 24 and name HG2+ ) ( resid 106 and name HB1 ) 4.24 4.24 0.00 peak 3144 assign ( resid 24 and name HG2+ ) ( resid 107 and name HG2+ ) 4.58 4.58 0.00 peak 3144 assign ( resid 18 and name HA ) ( resid 19 and name HA ) 4.83 4.83 0.00 peak 3155 assign ( resid 15 and name HA ) ( resid 17 and name HN ) 4.96 4.96 0.00 peak 3158 assign ( resid 15 and name HA ) ( resid 19 and name HN ) 5.32 5.32 0.00 peak 3158 assign ( resid 15 and name HN ) ( resid 15 and name HD1 ) 5.50 5.50 0.00 peak 3160 assign ( resid 10 and name HA ) ( resid 13 and name HN ) 4.36 4.36 0.00 peak 3175 assign ( resid 68 and name HD2 ) ( resid 92 and name HA ) 4.51 4.51 0.00 peak 3180 assign ( resid 3 and name HA ) ( resid 4 and name HG2 ) 4.67 4.67 0.00 peak 3183 assign ( resid 3 and name HG2+ ) ( resid 5 and name HB+ ) 4.15 4.15 0.00 peak 3187 assign ( resid 3 and name HG2+ ) ( resid 4 and name HG1 ) 4.60 4.60 0.00 peak 3190 assign ( resid 9 and name HD1+ ) ( resid 33 and name HD1+ ) 4.31 4.31 0.00 peak 3197 assign ( resid 57 and name HG2+ ) ( resid 68 and name HA ) 5.32 5.32 0.00 peak 3211 assign ( resid 16 and name HD1+ ) ( resid 26 and name HA2 ) 5.50 5.50 0.00 peak 3218 assign ( resid 16 and name HD2+ ) ( resid 26 and name HA2 ) 5.50 5.50 0.00 peak 3218 assign ( resid 38 and name HB+ ) ( resid 40 and name HD1+ ) 4.50 4.50 0.00 peak 3223 assign ( resid 49 and name HA ) ( resid 50 and name HA ) 4.86 4.86 0.00 peak 3233 assign ( resid 53 and name HA ) ( resid 53 and name HE+ ) 4.75 4.75 0.00 peak 3235 assign ( resid 59 and name HA ) ( resid 68 and name HB2 ) 5.30 5.30 0.00 peak 3238 assign ( resid 69 and name HA ) ( resid 70 and name HA ) 4.41 4.41 0.00 peak 3250 assign ( resid 55 and name HD1+ ) ( resid 72 and name HD+ ) 4.94 4.94 0.00 peak 3254 assign ( resid 27 and name HB+ ) ( resid 38 and name HA ) 5.50 5.50 0.00 peak 3260 assign ( resid 13 and name HZ ) ( resid 27 and name HB+ ) 4.62 4.62 0.00 peak 3262 assign ( resid 40 and name HB ) ( resid 72 and name HZ ) 5.25 5.25 0.00 peak 3318 assign ( resid 135 and name HA ) ( resid 138 and name HG1 ) 4.77 4.77 0.00 peak 3322 assign ( resid 9 and name HD1+ ) ( resid 59 and name HD+ ) 4.34 4.34 0.00 peak 3328 assign ( resid 34 and name HA ) ( resid 59 and name HD+ ) 4.59 4.59 0.00 peak 3333 assign ( resid 34 and name HA ) ( resid 35 and name HA ) 4.75 4.75 0.00 peak 3334 assign ( resid 4 and name HD2 ) ( resid 5 and name HB+ ) 4.69 4.69 0.00 peak 3337 assign ( resid 36 and name HN ) ( resid 57 and name HG2+ ) 5.26 5.26 0.00 peak 3341 assign ( resid 13 and name HE+ ) ( resid 28 and name HD2 ) 5.50 5.50 0.00 peak 3347 assign ( resid 128 and name HB2 ) ( resid 128 and name HE22 ) 5.43 5.43 0.00 peak 3359 assign ( resid 128 and name HB1 ) ( resid 128 and name HE22 ) 5.43 5.43 0.00 peak 3359 assign ( resid 46 and name HG2+ ) ( resid 48 and name HE+ ) 4.23 4.23 0.00 peak 3363 assign ( resid 40 and name HN ) ( resid 55 and name HD1+ ) 4.24 4.24 0.00 peak 3367 assign ( resid 3 and name HG2+ ) ( resid 4 and name HD2 ) 3.95 3.95 0.00 peak 3370 assign ( resid 90 and name HA ) ( resid 93 and name HN ) 3.85 3.85 0.00 peak 7 assign ( resid 104 and name HA ) ( resid 107 and name HN ) 4.12 4.12 0.00 peak 8 assign ( resid 82 and name HA ) ( resid 82 and name HD+ ) 3.73 3.73 0.00 peak 15 assign ( resid 107 and name HA ) ( resid 110 and name HN ) 3.92 3.92 0.00 peak 25 assign ( resid 33 and name HA ) ( resid 36 and name HZ2 ) 4.82 4.82 0.00 peak 36 assign ( resid 86 and name HB1 ) ( resid 87 and name HN ) 4.14 4.14 0.00 peak 48 assign ( resid 41 and name HD+ ) ( resid 52 and name HB ) 3.89 3.89 0.00 peak 59 assign ( resid 41 and name HE+ ) ( resid 52 and name HB ) 4.24 4.24 0.00 peak 61 assign ( resid 13 and name HB2 ) ( resid 36 and name HH2 ) 4.72 4.72 0.00 peak 70 assign ( resid 48 and name HB1 ) ( resid 53 and name HE+ ) 3.70 3.70 0.00 peak 73 assign ( resid 53 and name HE+ ) ( resid 145 and name HA ) 5.20 5.20 0.00 peak 76 assign ( resid 145 and name HA ) ( resid 148 and name HN ) 3.71 3.71 0.00 peak 77 assign ( resid 148 and name HN ) ( resid 149 and name HB2 ) 4.17 4.17 0.00 peak 79 assign ( resid 130 and name HA ) ( resid 130 and name HE+ ) 4.89 4.89 0.00 peak 80 assign ( resid 65 and name HN ) ( resid 65 and name HB2 ) 4.01 4.01 0.00 peak 84 assign ( resid 123 and name HN ) ( resid 123 and name HB1 ) 3.74 3.74 0.00 peak 89 assign ( resid 48 and name HB2 ) ( resid 49 and name HN ) 4.46 4.46 0.00 peak 100 assign ( resid 101 and name HB1 ) ( resid 102 and name HN ) 3.94 3.94 0.00 peak 101 assign ( resid 82 and name HE+ ) ( resid 88 and name HB1 ) 4.54 4.54 0.00 peak 104 assign ( resid 97 and name HB1 ) ( resid 100 and name HN ) 4.58 4.58 0.00 peak 120 assign ( resid 128 and name HN ) ( resid 128 and name HB2 ) 3.90 3.90 0.00 peak 124 assign ( resid 128 and name HN ) ( resid 128 and name HB1 ) 3.90 3.90 0.00 peak 124 assign ( resid 129 and name HB2 ) ( resid 137 and name HD+ ) 4.00 4.00 0.00 peak 136 assign ( resid 24 and name HN ) ( resid 24 and name HB ) 3.92 3.92 0.00 peak 138 assign ( resid 106 and name HN ) ( resid 106 and name HB2 ) 3.29 3.29 0.00 peak 141 assign ( resid 147 and name HN ) ( resid 147 and name HG1 ) 4.49 4.49 0.00 peak 142 assign ( resid 13 and name HD+ ) ( resid 28 and name HD2 ) 3.99 3.99 0.00 peak 145 assign ( resid 62 and name HN ) ( resid 62 and name HB2 ) 3.97 3.97 0.00 peak 159 assign ( resid 112 and name HB1 ) ( resid 113 and name HN ) 4.13 4.13 0.00 peak 168 assign ( resid 7 and name HN ) ( resid 7 and name HG1 ) 4.56 4.56 0.00 peak 169 assign ( resid 113 and name HG ) ( resid 114 and name HN ) 4.46 4.46 0.00 peak 170 assign ( resid 3 and name HN ) ( resid 3 and name HG2+ ) 3.84 3.84 0.00 peak 183 assign ( resid 13 and name HD+ ) ( resid 27 and name HB+ ) 3.82 3.82 0.00 peak 185 assign ( resid 28 and name HG1 ) ( resid 36 and name HZ2 ) 4.29 4.29 0.00 peak 193 assign ( resid 13 and name HD+ ) ( resid 28 and name HD1 ) 3.99 3.99 0.00 peak 197 assign ( resid 33 and name HD1+ ) ( resid 36 and name HZ2 ) 4.28 4.28 0.00 peak 198 assign ( resid 91 and name HG2+ ) ( resid 92 and name HN ) 4.52 4.52 0.00 peak 201 assign ( resid 91 and name HG2+ ) ( resid 96 and name HE3 ) 4.20 4.20 0.00 peak 202 assign ( resid 105 and name HG2+ ) ( resid 106 and name HN ) 4.29 4.29 0.00 peak 203 assign ( resid 40 and name HD1+ ) ( resid 72 and name HZ ) 3.89 3.89 0.00 peak 204 assign ( resid 41 and name HD+ ) ( resid 52 and name HG2+ ) 4.02 4.02 0.00 peak 204 assign ( resid 106 and name HN ) ( resid 106 and name HD1+ ) 4.22 4.22 0.00 peak 207 assign ( resid 109 and name HN ) ( resid 109 and name HG2+ ) 3.93 3.93 0.00 peak 210 assign ( resid 72 and name HZ ) ( resid 109 and name HG2+ ) 3.66 3.66 0.00 peak 212 assign ( resid 59 and name HZ ) ( resid 102 and name HG1+ ) 4.42 4.42 0.00 peak 215 assign ( resid 113 and name HN ) ( resid 113 and name HD1+ ) 4.54 4.54 0.00 peak 219 assign ( resid 13 and name HE+ ) ( resid 28 and name HG2 ) 4.10 4.10 0.00 peak 220 assign ( resid 48 and name HD+ ) ( resid 113 and name HD1+ ) 4.96 4.96 0.00 peak 222 assign ( resid 72 and name HE+ ) ( resid 109 and name HD1+ ) 4.93 4.93 0.00 peak 224 assign ( resid 72 and name HZ ) ( resid 87 and name HD1+ ) 4.51 4.51 0.00 peak 225 assign ( resid 29 and name HN ) ( resid 36 and name HA ) 3.89 3.89 0.00 peak 233 assign ( resid 96 and name HA ) ( resid 96 and name HE3 ) 3.82 3.82 0.00 peak 252 assign ( resid 13 and name HA ) ( resid 13 and name HD+ ) 3.52 3.52 0.00 peak 255 assign ( resid 80 and name HA ) ( resid 123 and name HN ) 4.03 4.03 0.00 peak 255 assign ( resid 63 and name HA ) ( resid 66 and name HN ) 4.79 4.79 0.00 peak 256 assign ( resid 13 and name HD+ ) ( resid 16 and name HN ) 4.66 4.66 0.00 peak 267 assign ( resid 53 and name HD+ ) ( resid 72 and name HE+ ) 3.46 3.46 0.00 peak 305 assign ( resid 13 and name HD+ ) ( resid 13 and name HZ ) 3.85 3.85 0.00 peak 308 assign ( resid 48 and name HD+ ) ( resid 49 and name HN ) 4.21 4.21 0.00 peak 315 assign ( resid 95 and name HN ) ( resid 96 and name HN ) 3.21 3.21 0.00 peak 320 assign ( resid 82 and name HN ) ( resid 86 and name HN ) 4.34 4.34 0.00 peak 373 assign ( resid 84 and name HN ) ( resid 86 and name HN ) 4.63 4.63 0.00 peak 382 assign ( resid 41 and name HN ) ( resid 41 and name HD+ ) 4.45 4.45 0.00 peak 390 assign ( resid 39 and name HA ) ( resid 55 and name HN ) 4.48 4.48 0.00 peak 399 assign ( resid 40 and name HN ) ( resid 54 and name HA ) 4.64 4.64 0.00 peak 424 assign ( resid 86 and name HN ) ( resid 86 and name HB1 ) 4.03 4.03 0.00 peak 427 assign ( resid 52 and name HB ) ( resid 53 and name HN ) 4.28 4.28 0.00 peak 430 assign ( resid 38 and name HN ) ( resid 55 and name HD1+ ) 5.50 5.50 0.00 peak 481 assign ( resid 38 and name HN ) ( resid 55 and name HD2+ ) 5.50 5.50 0.00 peak 481 assign ( resid 64 and name HG2 ) ( resid 65 and name HN ) 4.78 4.78 0.00 peak 490 assign ( resid 58 and name HN ) ( resid 58 and name HG2 ) 5.37 5.37 0.00 peak 496 assign ( resid 58 and name HN ) ( resid 58 and name HG1 ) 5.37 5.37 0.00 peak 496 assign ( resid 76 and name HN ) ( resid 76 and name HG2 ) 4.68 4.68 0.00 peak 501 assign ( resid 48 and name HD+ ) ( resid 113 and name HD2+ ) 4.96 4.96 0.00 peak 525 assign ( resid 55 and name HG ) ( resid 72 and name HZ ) 4.76 4.76 0.00 peak 528 assign ( resid 55 and name HG ) ( resid 72 and name HD+ ) 4.84 4.84 0.00 peak 537 assign ( resid 72 and name HD+ ) ( resid 109 and name HD1+ ) 5.47 5.47 0.00 peak 538 assign ( resid 72 and name HD+ ) ( resid 87 and name HD1+ ) 4.51 4.51 0.00 peak 539 assign ( resid 89 and name HG ) ( resid 91 and name HN ) 4.19 4.19 0.00 peak 552 assign ( resid 91 and name HG2+ ) ( resid 93 and name HN ) 4.59 4.59 0.00 peak 555 assign ( resid 16 and name HN ) ( resid 16 and name HD1+ ) 4.95 4.95 0.00 peak 564 assign ( resid 16 and name HN ) ( resid 16 and name HD2+ ) 4.95 4.95 0.00 peak 564 assign ( resid 22 and name HG2+ ) ( resid 24 and name HN ) 5.35 5.35 0.00 peak 567 assign ( resid 13 and name HE+ ) ( resid 28 and name HD1 ) 5.50 5.50 0.00 peak 567 assign ( resid 36 and name HE3 ) ( resid 57 and name HD1+ ) 5.19 5.19 0.00 peak 568 assign ( resid 140 and name HN ) ( resid 140 and name HG1 ) 4.64 4.64 0.00 peak 573 assign ( resid 89 and name HB1 ) ( resid 91 and name HN ) 5.04 5.04 0.00 peak 576 assign ( resid 141 and name HN ) ( resid 143 and name HB+ ) 5.38 5.38 0.00 peak 576 assign ( resid 89 and name HB2 ) ( resid 91 and name HN ) 5.04 5.04 0.00 peak 577 assign ( resid 83 and name HB+ ) ( resid 84 and name HN ) 4.60 4.60 0.00 peak 579 assign ( resid 60 and name HN ) ( resid 62 and name HB2 ) 5.25 5.25 0.00 peak 584 assign ( resid 126 and name HN ) ( resid 127 and name HB+ ) 5.11 5.11 0.00 peak 587 assign ( resid 77 and name HN ) ( resid 144 and name HG11 ) 5.50 5.50 0.00 peak 590 assign ( resid 91 and name HB ) ( resid 96 and name HE3 ) 4.98 4.98 0.00 peak 594 assign ( resid 39 and name HB ) ( resid 41 and name HE+ ) 5.07 5.07 0.00 peak 596 assign ( resid 40 and name HB ) ( resid 72 and name HE+ ) 5.41 5.41 0.00 peak 596 assign ( resid 72 and name HE+ ) ( resid 87 and name HG12 ) 4.17 4.17 0.00 peak 604 assign ( resid 53 and name HE+ ) ( resid 145 and name HB ) 5.07 5.07 0.00 peak 606 assign ( resid 128 and name HB2 ) ( resid 128 and name HE21 ) 5.43 5.43 0.00 peak 614 assign ( resid 128 and name HB1 ) ( resid 128 and name HE21 ) 5.43 5.43 0.00 peak 614 assign ( resid 117 and name HB2 ) ( resid 119 and name HN ) 4.56 4.56 0.00 peak 626 assign ( resid 36 and name HB2 ) ( resid 37 and name HN ) 4.26 4.26 0.00 peak 634 assign ( resid 133 and name HB1 ) ( resid 136 and name HN ) 4.58 4.58 0.00 peak 635 assign ( resid 53 and name HB2 ) ( resid 72 and name HE+ ) 4.76 4.76 0.00 peak 643 assign ( resid 53 and name HB1 ) ( resid 72 and name HE+ ) 4.76 4.76 0.00 peak 643 assign ( resid 113 and name HA ) ( resid 115 and name HN ) 5.50 5.50 0.00 peak 651 assign ( resid 47 and name HD2 ) ( resid 48 and name HD+ ) 4.44 4.44 0.00 peak 664 assign ( resid 13 and name HB2 ) ( resid 36 and name HZ2 ) 4.96 4.96 0.00 peak 666 assign ( resid 134 and name HA ) ( resid 136 and name HN ) 4.51 4.51 0.00 peak 667 assign ( resid 109 and name HN ) ( resid 110 and name HA ) 5.42 5.42 0.00 peak 674 assign ( resid 99 and name HN ) ( resid 99 and name HB ) 4.18 4.18 0.00 peak 683 assign ( resid 96 and name HN ) ( resid 97 and name HN ) 4.64 4.64 0.00 peak 698 assign ( resid 36 and name HA ) ( resid 36 and name HD1 ) 4.05 4.05 0.00 peak 700 assign ( resid 137 and name HN ) ( resid 137 and name HD+ ) 4.27 4.27 0.00 peak 712 assign ( resid 13 and name HD+ ) ( resid 14 and name HN ) 4.43 4.43 0.00 peak 714 assign ( resid 91 and name HN ) ( resid 92 and name HN ) 4.46 4.46 0.00 peak 715 assign ( resid 100 and name HN ) ( resid 101 and name HN ) 4.64 4.64 0.00 peak 716 assign ( resid 63 and name HN ) ( resid 66 and name HN ) 4.79 4.79 0.00 peak 717 assign ( resid 13 and name HD+ ) ( resid 17 and name HN ) 4.83 4.83 0.00 peak 722 assign ( resid 52 and name HN ) ( resid 149 and name HD1 ) 5.30 5.30 0.00 peak 722 assign ( resid 106 and name HN ) ( resid 108 and name HN ) 4.91 4.91 0.00 peak 734 assign ( resid 81 and name HN ) ( resid 122 and name HN ) 4.88 4.88 0.00 peak 743 assign ( resid 51 and name HN ) ( resid 53 and name HE+ ) 5.15 5.15 0.00 peak 751 assign ( resid 81 and name HN ) ( resid 82 and name HN ) 5.40 5.40 0.00 peak 751 assign ( resid 36 and name HN ) ( resid 36 and name HD1 ) 4.27 4.27 0.00 peak 758 assign ( resid 117 and name HN ) ( resid 119 and name HN ) 4.97 4.97 0.00 peak 759 assign ( resid 25 and name HN ) ( resid 38 and name HA ) 5.02 5.02 0.00 peak 767 assign ( resid 36 and name HD1 ) ( resid 59 and name HE+ ) 4.70 4.70 0.00 peak 786 assign ( resid 36 and name HD1 ) ( resid 59 and name HD+ ) 4.46 4.46 0.00 peak 793 assign ( resid 59 and name HA ) ( resid 59 and name HD+ ) 4.23 4.23 0.00 peak 799 assign ( resid 36 and name HB2 ) ( resid 59 and name HE+ ) 4.44 4.44 0.00 peak 810 assign ( resid 24 and name HA ) ( resid 40 and name HG11 ) 5.50 5.50 0.00 peak 816 assign ( resid 24 and name HA ) ( resid 106 and name HB1 ) 5.50 5.50 0.00 peak 816 assign ( resid 57 and name HB ) ( resid 59 and name HE+ ) 4.62 4.62 0.00 peak 818 assign ( resid 59 and name HE+ ) ( resid 68 and name HB2 ) 5.11 5.11 0.00 peak 819 assign ( resid 59 and name HE+ ) ( resid 68 and name HB1 ) 5.11 5.11 0.00 peak 819 assign ( resid 91 and name HD1+ ) ( resid 97 and name HN ) 5.50 5.50 0.00 peak 822 assign ( resid 59 and name HZ ) ( resid 102 and name HG2+ ) 4.42 4.42 0.00 peak 828 assign ( resid 38 and name HB+ ) ( resid 55 and name HG ) 4.51 4.51 0.00 peak 840 assign ( resid 40 and name HG11 ) ( resid 55 and name HG ) 3.86 3.86 0.00 peak 842 assign ( resid 55 and name HG ) ( resid 87 and name HG12 ) 5.50 5.50 0.00 peak 844 assign ( resid 57 and name HG2+ ) ( resid 105 and name HD1+ ) 4.64 4.64 0.00 peak 853 assign ( resid 57 and name HG2+ ) ( resid 70 and name HG2+ ) 3.98 3.98 0.00 peak 854 assign ( resid 109 and name HB ) ( resid 109 and name HD1+ ) 3.73 3.73 0.00 peak 887 assign ( resid 12 and name HA ) ( resid 15 and name HB2 ) 4.55 4.55 0.00 peak 895 assign ( resid 73 and name HA ) ( resid 73 and name HG ) 3.90 3.90 0.00 peak 902 assign ( resid 2 and name HA ) ( resid 3 and name HG2+ ) 4.89 4.89 0.00 peak 911 assign ( resid 59 and name HA ) ( resid 68 and name HB1 ) 5.30 5.30 0.00 peak 923 assign ( resid 5 and name HB+ ) ( resid 61 and name HA ) 3.10 3.10 0.00 peak 924 assign ( resid 3 and name HG2+ ) ( resid 61 and name HA ) 4.96 4.96 0.00 peak 932 assign ( resid 91 and name HD1+ ) ( resid 104 and name HA ) 4.61 4.61 0.00 peak 934 assign ( resid 11 and name HA ) ( resid 14 and name HE2 ) 5.50 5.50 0.00 peak 944 assign ( resid 11 and name HA ) ( resid 14 and name HE1 ) 5.50 5.50 0.00 peak 944 assign ( resid 8 and name HA ) ( resid 8 and name HD2 ) 4.19 4.19 0.00 peak 951 assign ( resid 8 and name HA ) ( resid 11 and name HG2 ) 4.45 4.45 0.00 peak 953 assign ( resid 5 and name HB+ ) ( resid 64 and name HA ) 3.91 3.91 0.00 peak 959 assign ( resid 112 and name HA ) ( resid 112 and name HD1+ ) 4.06 4.06 0.00 peak 960 assign ( resid 136 and name HA ) ( resid 136 and name HG2 ) 4.11 4.11 0.00 peak 968 assign ( resid 7 and name HA ) ( resid 7 and name HG2 ) 3.79 3.79 0.00 peak 976 assign ( resid 91 and name HD1+ ) ( resid 108 and name HB2 ) 4.51 4.51 0.00 peak 981 assign ( resid 44 and name HA ) ( resid 49 and name HA ) 4.45 4.45 0.00 peak 984 assign ( resid 137 and name HA ) ( resid 140 and name HB2 ) 4.51 4.51 0.00 peak 994 assign ( resid 79 and name HA ) ( resid 127 and name HB+ ) 4.57 4.57 0.00 peak 995 assign ( resid 42 and name HA2 ) ( resid 113 and name HD1+ ) 5.98 5.98 0.00 peak 1004 assign ( resid 141 and name HA ) ( resid 142 and name HA ) 4.96 4.96 0.00 peak 1005 assign ( resid 139 and name HA ) ( resid 139 and name HG2 ) 4.08 4.08 0.00 peak 1006 assign ( resid 142 and name HA ) ( resid 145 and name HB ) 4.02 4.02 0.00 peak 1009 assign ( resid 137 and name HA ) ( resid 140 and name HB1 ) 4.51 4.51 0.00 peak 1010 assign ( resid 134 and name HA ) ( resid 134 and name HG2 ) 4.04 4.04 0.00 peak 1017 assign ( resid 134 and name HA ) ( resid 134 and name HG1 ) 4.04 4.04 0.00 peak 1017 assign ( resid 103 and name HA ) ( resid 106 and name HB2 ) 3.62 3.62 0.00 peak 1020 assign ( resid 105 and name HG2+ ) ( resid 106 and name HA ) 4.70 4.70 0.00 peak 1026 assign ( resid 106 and name HA ) ( resid 106 and name HD1+ ) 4.31 4.31 0.00 peak 1027 assign ( resid 40 and name HG11 ) ( resid 106 and name HA ) 5.50 5.50 0.00 peak 1032 assign ( resid 22 and name HA ) ( resid 22 and name HG1+ ) 3.65 3.65 0.00 peak 1038 assign ( resid 91 and name HG2+ ) ( resid 105 and name HA ) 4.48 4.48 0.00 peak 1058 assign ( resid 109 and name HA ) ( resid 112 and name HB1 ) 4.51 4.51 0.00 peak 1064 assign ( resid 130 and name HA ) ( resid 134 and name HG2 ) 5.50 5.50 0.00 peak 1104 assign ( resid 130 and name HA ) ( resid 134 and name HG1 ) 5.50 5.50 0.00 peak 1104 assign ( resid 40 and name HG2+ ) ( resid 53 and name HB2 ) 5.50 5.50 0.00 peak 1112 assign ( resid 110 and name HA ) ( resid 113 and name HG ) 4.46 4.46 0.00 peak 1129 assign ( resid 102 and name HA ) ( resid 102 and name HG1+ ) 3.54 3.54 0.00 peak 1136 assign ( resid 9 and name HD1+ ) ( resid 59 and name HB1 ) 4.78 4.78 0.00 peak 1147 assign ( resid 36 and name HB2 ) ( resid 57 and name HB ) 4.24 4.24 0.00 peak 1156 assign ( resid 10 and name HG1 ) ( resid 33 and name HD1+ ) 3.91 3.91 0.00 peak 1173 assign ( resid 46 and name HG2+ ) ( resid 114 and name HB2 ) 4.37 4.37 0.00 peak 1183 assign ( resid 144 and name HD1+ ) ( resid 145 and name HB ) 5.50 5.50 0.00 peak 1200 assign ( resid 70 and name HB ) ( resid 87 and name HD1+ ) 4.24 4.24 0.00 peak 1221 assign ( resid 38 and name HB+ ) ( resid 55 and name HD2+ ) 4.41 4.41 0.00 peak 1228 assign ( resid 106 and name HB1 ) ( resid 106 and name HD2+ ) 4.13 4.13 0.00 peak 1230 assign ( resid 138 and name HA ) ( resid 138 and name HG2 ) 4.25 4.25 0.00 peak 1245 assign ( resid 57 and name HG2+ ) ( resid 68 and name HG2 ) 5.50 5.50 0.00 peak 1274 assign ( resid 57 and name HG2+ ) ( resid 68 and name HG1 ) 5.50 5.50 0.00 peak 1274 assign ( resid 57 and name HG2+ ) ( resid 105 and name HG2+ ) 4.44 4.44 0.00 peak 1277 assign ( resid 55 and name HG ) ( resid 105 and name HD1+ ) 5.50 5.50 0.00 peak 1281 assign ( resid 48 and name HD+ ) ( resid 53 and name HE+ ) 3.83 3.83 0.00 peak 1291 assign ( resid 46 and name HB ) ( resid 48 and name HD+ ) 4.28 4.28 0.00 peak 1302 assign ( resid 80 and name HN ) ( resid 81 and name HN ) 4.12 4.12 0.00 peak 1303 assign ( resid 89 and name HN ) ( resid 89 and name HG ) 5.50 5.50 0.00 peak 1314 assign ( resid 129 and name HB1 ) ( resid 137 and name HD+ ) 4.08 4.08 0.00 peak 1319 assign ( resid 72 and name HB2 ) ( resid 73 and name HN ) 4.54 4.54 0.00 peak 1327 assign ( resid 110 and name HA ) ( resid 110 and name HG1 ) 4.09 4.09 0.00 peak 1333 assign ( resid 138 and name HA ) ( resid 138 and name HG1 ) 4.25 4.25 0.00 peak 1345 assign ( resid 62 and name HB2 ) ( resid 63 and name HB2 ) 4.78 4.78 0.00 peak 1378 assign ( resid 14 and name HA ) ( resid 14 and name HG2 ) 4.10 4.10 0.00 peak 1390 assign ( resid 102 and name HA ) ( resid 105 and name HG2+ ) 3.68 3.68 0.00 peak 1425 assign ( resid 138 and name HA ) ( resid 141 and name HG1+ ) 4.43 4.43 0.00 peak 1439 assign ( resid 33 and name HG2+ ) ( resid 34 and name HG1 ) 4.41 4.41 0.00 peak 1453 assign ( resid 57 and name HD1+ ) ( resid 106 and name HG ) 5.13 5.13 0.00 peak 1467 assign ( resid 110 and name HA ) ( resid 113 and name HD1+ ) 4.40 4.40 0.00 peak 1478 assign ( resid 134 and name HA ) ( resid 134 and name HD2 ) 5.49 5.49 0.00 peak 1493 assign ( resid 134 and name HA ) ( resid 134 and name HD1 ) 5.49 5.49 0.00 peak 1493 assign ( resid 126 and name HA ) ( resid 129 and name HB2 ) 4.38 4.38 0.00 peak 1497 assign ( resid 117 and name HB2 ) ( resid 118 and name HD1 ) 5.50 5.50 0.00 peak 1531 assign ( resid 123 and name HB1 ) ( resid 126 and name HA ) 5.50 5.50 0.00 peak 1531 assign ( resid 71 and name HA ) ( resid 87 and name HD1+ ) 4.14 4.14 0.00 peak 1543 assign ( resid 55 and name HD2+ ) ( resid 56 and name HA ) 5.50 5.50 0.00 peak 1552 assign ( resid 122 and name HN ) ( resid 123 and name HN ) 3.46 3.46 0.00 peak 2 assign ( resid 80 and name HA ) ( resid 122 and name HN ) 3.62 3.62 0.00 peak 3 assign ( resid 122 and name HN ) ( resid 122 and name HB+ ) 3.29 3.29 0.00 peak 7 assign ( resid 87 and name HA ) ( resid 88 and name HN ) 3.16 3.16 0.00 peak 8 assign ( resid 87 and name HG2+ ) ( resid 88 and name HN ) 3.59 3.59 0.00 peak 11 assign ( resid 88 and name HA ) ( resid 89 and name HN ) 2.90 2.90 0.00 peak 12 assign ( resid 35 and name HA ) ( resid 36 and name HN ) 3.20 3.20 0.00 peak 15 assign ( resid 36 and name HN ) ( resid 58 and name HA ) 4.29 4.29 0.00 peak 16 assign ( resid 36 and name HN ) ( resid 56 and name HB ) 5.35 5.35 0.00 peak 18 assign ( resid 36 and name HN ) ( resid 57 and name HB ) 4.59 4.59 0.00 peak 19 assign ( resid 40 and name HB ) ( resid 41 and name HN ) 4.28 4.28 0.00 peak 27 assign ( resid 61 and name HA ) ( resid 63 and name HN ) 5.20 5.20 0.00 peak 32 assign ( resid 63 and name HN ) ( resid 63 and name HB2 ) 3.47 3.47 0.00 peak 33 assign ( resid 63 and name HN ) ( resid 63 and name HB1 ) 3.87 3.87 0.00 peak 34 assign ( resid 62 and name HB2 ) ( resid 63 and name HN ) 3.53 3.53 0.00 peak 36 assign ( resid 82 and name HN ) ( resid 82 and name HD+ ) 3.62 3.62 0.00 peak 43 assign ( resid 82 and name HN ) ( resid 82 and name HB2 ) 4.12 4.12 0.00 peak 46 assign ( resid 82 and name HN ) ( resid 82 and name HB1 ) 4.12 4.12 0.00 peak 47 assign ( resid 44 and name HN ) ( resid 44 and name HB2 ) 3.77 3.77 0.00 peak 50 assign ( resid 44 and name HN ) ( resid 44 and name HB1 ) 3.77 3.77 0.00 peak 50 assign ( resid 36 and name HN ) ( resid 57 and name HN ) 3.86 3.86 0.00 peak 52 assign ( resid 35 and name HA ) ( resid 57 and name HN ) 5.17 5.17 0.00 peak 53 assign ( resid 37 and name HA ) ( resid 57 and name HN ) 5.41 5.41 0.00 peak 53 assign ( resid 56 and name HA ) ( resid 57 and name HN ) 3.03 3.03 0.00 peak 54 assign ( resid 36 and name HB2 ) ( resid 57 and name HN ) 4.31 4.31 0.00 peak 56 assign ( resid 56 and name HB ) ( resid 57 and name HN ) 4.07 4.07 0.00 peak 57 assign ( resid 57 and name HN ) ( resid 57 and name HB ) 3.78 3.78 0.00 peak 58 assign ( resid 57 and name HN ) ( resid 57 and name HD1+ ) 3.98 3.98 0.00 peak 60 assign ( resid 77 and name HN ) ( resid 144 and name HG2+ ) 4.38 4.38 0.00 peak 62 assign ( resid 55 and name HA ) ( resid 73 and name HN ) 3.77 3.77 0.00 peak 67 assign ( resid 72 and name HA ) ( resid 73 and name HN ) 3.43 3.43 0.00 peak 68 assign ( resid 73 and name HN ) ( resid 73 and name HB2 ) 3.93 3.93 0.00 peak 69 assign ( resid 73 and name HN ) ( resid 73 and name HD1+ ) 5.50 5.50 0.00 peak 70 assign ( resid 73 and name HN ) ( resid 73 and name HD2+ ) 5.50 5.50 0.00 peak 70 assign ( resid 63 and name HA ) ( resid 65 and name HN ) 4.26 4.26 0.00 peak 72 assign ( resid 63 and name HB1 ) ( resid 65 and name HN ) 3.55 3.55 0.00 peak 75 assign ( resid 5 and name HB+ ) ( resid 65 and name HN ) 5.16 5.16 0.00 peak 76 assign ( resid 64 and name HG1 ) ( resid 65 and name HN ) 4.78 4.78 0.00 peak 77 assign ( resid 59 and name HN ) ( resid 59 and name HD+ ) 3.72 3.72 0.00 peak 78 assign ( resid 35 and name HA ) ( resid 59 and name HN ) 4.83 4.83 0.00 peak 79 assign ( resid 58 and name HA ) ( resid 59 and name HN ) 3.13 3.13 0.00 peak 80 assign ( resid 34 and name HA ) ( resid 59 and name HN ) 4.32 4.32 0.00 peak 81 assign ( resid 58 and name HB2 ) ( resid 59 and name HN ) 4.56 4.56 0.00 peak 86 assign ( resid 69 and name HA ) ( resid 70 and name HN ) 2.89 2.89 0.00 peak 89 assign ( resid 105 and name HN ) ( resid 105 and name HB ) 3.36 3.36 0.00 peak 92 assign ( resid 70 and name HN ) ( resid 70 and name HB ) 3.63 3.63 0.00 peak 93 assign ( resid 69 and name HG2+ ) ( resid 70 and name HN ) 3.68 3.68 0.00 peak 94 assign ( resid 105 and name HN ) ( resid 105 and name HG2+ ) 3.57 3.57 0.00 peak 95 assign ( resid 105 and name HN ) ( resid 105 and name HD1+ ) 4.32 4.32 0.00 peak 96 assign ( resid 48 and name HN ) ( resid 49 and name HN ) 3.36 3.36 0.00 peak 98 assign ( resid 47 and name HA ) ( resid 49 and name HN ) 4.25 4.25 0.00 peak 101 assign ( resid 49 and name HN ) ( resid 49 and name HB2 ) 3.68 3.68 0.00 peak 104 assign ( resid 49 and name HN ) ( resid 49 and name HB1 ) 3.38 3.38 0.00 peak 106 assign ( resid 41 and name HD+ ) ( resid 53 and name HN ) 4.27 4.27 0.00 peak 108 assign ( resid 53 and name HN ) ( resid 53 and name HD+ ) 4.43 4.43 0.00 peak 108 assign ( resid 52 and name HA ) ( resid 53 and name HN ) 3.23 3.23 0.00 peak 109 assign ( resid 52 and name HG2+ ) ( resid 53 and name HN ) 4.05 4.05 0.00 peak 110 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 3.43 3.43 0.00 peak 112 assign ( resid 10 and name HN ) ( resid 11 and name HN ) 3.56 3.56 0.00 peak 113 assign ( resid 11 and name HN ) ( resid 11 and name HD2 ) 5.50 5.50 0.00 peak 116 assign ( resid 11 and name HN ) ( resid 11 and name HD1 ) 5.50 5.50 0.00 peak 116 assign ( resid 11 and name HN ) ( resid 11 and name HG2 ) 4.15 4.15 0.00 peak 118 assign ( resid 11 and name HN ) ( resid 11 and name HG1 ) 4.15 4.15 0.00 peak 119 assign ( resid 99 and name HN ) ( resid 100 and name HN ) 3.74 3.74 0.00 peak 121 assign ( resid 99 and name HB ) ( resid 100 and name HN ) 4.60 4.60 0.00 peak 125 assign ( resid 100 and name HN ) ( resid 100 and name HB1 ) 3.65 3.65 0.00 peak 126 assign ( resid 100 and name HN ) ( resid 100 and name HB2 ) 3.65 3.65 0.00 peak 127 assign ( resid 99 and name HG2+ ) ( resid 100 and name HN ) 4.18 4.18 0.00 peak 128 assign ( resid 54 and name HA ) ( resid 55 and name HN ) 3.08 3.08 0.00 peak 130 assign ( resid 54 and name HB2 ) ( resid 55 and name HN ) 4.41 4.41 0.00 peak 131 assign ( resid 54 and name HG1 ) ( resid 55 and name HN ) 5.24 5.24 0.00 peak 132 assign ( resid 55 and name HN ) ( resid 73 and name HB2 ) 5.50 5.50 0.00 peak 132 assign ( resid 55 and name HN ) ( resid 55 and name HB1 ) 4.03 4.03 0.00 peak 134 assign ( resid 55 and name HN ) ( resid 55 and name HB2 ) 4.03 4.03 0.00 peak 135 assign ( resid 55 and name HN ) ( resid 55 and name HD2+ ) 4.68 4.68 0.00 peak 136 assign ( resid 38 and name HN ) ( resid 55 and name HN ) 4.09 4.09 0.00 peak 137 assign ( resid 37 and name HA ) ( resid 38 and name HN ) 2.87 2.87 0.00 peak 138 assign ( resid 38 and name HN ) ( resid 56 and name HA ) 3.76 3.76 0.00 peak 139 assign ( resid 37 and name HB1 ) ( resid 38 and name HN ) 4.65 4.65 0.00 peak 140 assign ( resid 37 and name HB2 ) ( resid 38 and name HN ) 4.65 4.65 0.00 peak 141 assign ( resid 108 and name HB2 ) ( resid 109 and name HN ) 3.98 3.98 0.00 peak 144 assign ( resid 108 and name HB1 ) ( resid 109 and name HN ) 3.98 3.98 0.00 peak 145 assign ( resid 109 and name HN ) ( resid 109 and name HB ) 3.35 3.35 0.00 peak 148 assign ( resid 109 and name HN ) ( resid 109 and name HD1+ ) 3.73 3.73 0.00 peak 150 assign ( resid 77 and name HD+ ) ( resid 78 and name HN ) 4.06 4.06 0.00 peak 151 assign ( resid 77 and name HA ) ( resid 78 and name HN ) 3.16 3.16 0.00 peak 153 assign ( resid 78 and name HN ) ( resid 81 and name HB ) 4.30 4.30 0.00 peak 155 assign ( resid 78 and name HN ) ( resid 126 and name HB+ ) 4.48 4.48 0.00 peak 156 assign ( resid 112 and name HN ) ( resid 113 and name HN ) 3.28 3.28 0.00 peak 159 assign ( resid 109 and name HA ) ( resid 112 and name HN ) 3.66 3.66 0.00 peak 162 assign ( resid 112 and name HN ) ( resid 112 and name HB1 ) 3.60 3.60 0.00 peak 163 assign ( resid 109 and name HG2+ ) ( resid 112 and name HN ) 4.52 4.52 0.00 peak 166 assign ( resid 54 and name HN ) ( resid 54 and name HG2 ) 4.68 4.68 0.00 peak 171 assign ( resid 54 and name HN ) ( resid 54 and name HG1 ) 4.68 4.68 0.00 peak 172 assign ( resid 12 and name HN ) ( resid 14 and name HN ) 4.98 4.98 0.00 peak 174 assign ( resid 10 and name HA ) ( resid 12 and name HN ) 4.28 4.28 0.00 peak 176 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 4.25 4.25 0.00 peak 178 assign ( resid 12 and name HN ) ( resid 12 and name HB2 ) 3.91 3.91 0.00 peak 179 assign ( resid 12 and name HN ) ( resid 12 and name HB1 ) 3.91 3.91 0.00 peak 180 assign ( resid 40 and name HN ) ( resid 53 and name HN ) 4.59 4.59 0.00 peak 183 assign ( resid 39 and name HA ) ( resid 40 and name HN ) 3.00 3.00 0.00 peak 184 assign ( resid 40 and name HN ) ( resid 40 and name HB ) 3.71 3.71 0.00 peak 187 assign ( resid 40 and name HN ) ( resid 40 and name HG12 ) 4.19 4.19 0.00 peak 188 assign ( resid 40 and name HN ) ( resid 40 and name HG2+ ) 4.15 4.15 0.00 peak 190 assign ( resid 39 and name HG1+ ) ( resid 40 and name HN ) 4.55 4.55 0.00 peak 191 assign ( resid 142 and name HN ) ( resid 143 and name HN ) 3.88 3.88 0.00 peak 195 assign ( resid 143 and name HN ) ( resid 144 and name HN ) 3.47 3.47 0.00 peak 196 assign ( resid 140 and name HA ) ( resid 143 and name HN ) 4.30 4.30 0.00 peak 199 assign ( resid 71 and name HB1 ) ( resid 72 and name HN ) 4.48 4.48 0.00 peak 207 assign ( resid 96 and name HN ) ( resid 96 and name HB2 ) 3.51 3.51 0.00 peak 211 assign ( resid 96 and name HN ) ( resid 96 and name HB1 ) 3.51 3.51 0.00 peak 212 assign ( resid 21 and name HB2 ) ( resid 22 and name HN ) 4.00 4.00 0.00 peak 215 assign ( resid 22 and name HN ) ( resid 22 and name HB ) 2.97 2.97 0.00 peak 216 assign ( resid 21 and name HB1 ) ( resid 22 and name HN ) 4.00 4.00 0.00 peak 217 assign ( resid 22 and name HN ) ( resid 22 and name HG2+ ) 3.98 3.98 0.00 peak 219 assign ( resid 38 and name HA ) ( resid 39 and name HN ) 3.06 3.06 0.00 peak 221 assign ( resid 24 and name HA ) ( resid 39 and name HN ) 5.50 5.50 0.00 peak 222 assign ( resid 39 and name HN ) ( resid 54 and name HA ) 5.50 5.50 0.00 peak 222 assign ( resid 26 and name HA2 ) ( resid 39 and name HN ) 3.78 3.78 0.00 peak 224 assign ( resid 39 and name HN ) ( resid 39 and name HB ) 3.53 3.53 0.00 peak 226 assign ( resid 39 and name HN ) ( resid 40 and name HG11 ) 4.88 4.88 0.00 peak 228 assign ( resid 39 and name HN ) ( resid 39 and name HG1+ ) 4.26 4.26 0.00 peak 229 assign ( resid 39 and name HN ) ( resid 39 and name HG2+ ) 4.26 4.26 0.00 peak 230 assign ( resid 39 and name HN ) ( resid 55 and name HD1+ ) 5.50 5.50 0.00 peak 231 assign ( resid 39 and name HN ) ( resid 55 and name HD2+ ) 5.50 5.50 0.00 peak 231 assign ( resid 5 and name HN ) ( resid 6 and name HN ) 4.24 4.24 0.00 peak 247 assign ( resid 5 and name HN ) ( resid 5 and name HB+ ) 3.28 3.28 0.00 peak 252 assign ( resid 8 and name HN ) ( resid 9 and name HN ) 3.72 3.72 0.00 peak 253 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 4.44 4.44 0.00 peak 255 assign ( resid 8 and name HB1 ) ( resid 9 and name HN ) 4.44 4.44 0.00 peak 255 assign ( resid 5 and name HB+ ) ( resid 9 and name HN ) 5.17 5.17 0.00 peak 256 assign ( resid 9 and name HN ) ( resid 9 and name HG ) 3.51 3.51 0.00 peak 257 assign ( resid 9 and name HN ) ( resid 9 and name HB1 ) 3.85 3.85 0.00 peak 258 assign ( resid 75 and name HN ) ( resid 76 and name HN ) 4.79 4.79 0.00 peak 261 assign ( resid 75 and name HA ) ( resid 76 and name HN ) 2.87 2.87 0.00 peak 263 assign ( resid 76 and name HN ) ( resid 76 and name HG1 ) 4.68 4.68 0.00 peak 266 assign ( resid 76 and name HN ) ( resid 144 and name HG2+ ) 5.36 5.36 0.00 peak 268 assign ( resid 137 and name HN ) ( resid 138 and name HN ) 3.72 3.72 0.00 peak 269 assign ( resid 136 and name HN ) ( resid 137 and name HN ) 3.58 3.58 0.00 peak 270 assign ( resid 137 and name HN ) ( resid 137 and name HB2 ) 3.55 3.55 0.00 peak 271 assign ( resid 137 and name HN ) ( resid 137 and name HB1 ) 3.55 3.55 0.00 peak 272 assign ( resid 136 and name HB2 ) ( resid 137 and name HN ) 4.19 4.19 0.00 peak 273 assign ( resid 136 and name HB1 ) ( resid 137 and name HN ) 4.19 4.19 0.00 peak 273 assign ( resid 129 and name HB1 ) ( resid 137 and name HN ) 4.27 4.27 0.00 peak 274 assign ( resid 13 and name HB2 ) ( resid 14 and name HN ) 4.14 4.14 0.00 peak 281 assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 3.66 3.66 0.00 peak 282 assign ( resid 14 and name HN ) ( resid 14 and name HB2 ) 4.15 4.15 0.00 peak 283 assign ( resid 14 and name HN ) ( resid 14 and name HB1 ) 4.15 4.15 0.00 peak 283 assign ( resid 14 and name HN ) ( resid 14 and name HD2 ) 5.50 5.50 0.00 peak 284 assign ( resid 14 and name HN ) ( resid 14 and name HD1 ) 5.50 5.50 0.00 peak 284 assign ( resid 138 and name HA ) ( resid 141 and name HN ) 3.99 3.99 0.00 peak 286 assign ( resid 140 and name HB1 ) ( resid 141 and name HN ) 4.22 4.22 0.00 peak 288 assign ( resid 135 and name HN ) ( resid 136 and name HN ) 3.81 3.81 0.00 peak 289 assign ( resid 136 and name HN ) ( resid 137 and name HB1 ) 5.20 5.20 0.00 peak 291 assign ( resid 136 and name HN ) ( resid 136 and name HG2 ) 4.84 4.84 0.00 peak 292 assign ( resid 136 and name HN ) ( resid 136 and name HG1 ) 4.84 4.84 0.00 peak 293 assign ( resid 136 and name HN ) ( resid 136 and name HB2 ) 3.70 3.70 0.00 peak 294 assign ( resid 136 and name HN ) ( resid 136 and name HB1 ) 3.70 3.70 0.00 peak 294 assign ( resid 125 and name HN ) ( resid 126 and name HN ) 4.03 4.03 0.00 peak 297 assign ( resid 86 and name HN ) ( resid 87 and name HN ) 4.64 4.64 0.00 peak 300 assign ( resid 71 and name HA ) ( resid 87 and name HN ) 4.09 4.09 0.00 peak 301 assign ( resid 86 and name HB2 ) ( resid 87 and name HN ) 4.14 4.14 0.00 peak 302 assign ( resid 87 and name HN ) ( resid 87 and name HG11 ) 3.79 3.79 0.00 peak 305 assign ( resid 87 and name HN ) ( resid 87 and name HB ) 3.44 3.44 0.00 peak 306 assign ( resid 87 and name HN ) ( resid 87 and name HG2+ ) 4.03 4.03 0.00 peak 308 assign ( resid 108 and name HN ) ( resid 110 and name HN ) 4.34 4.34 0.00 peak 311 assign ( resid 105 and name HA ) ( resid 108 and name HN ) 4.36 4.36 0.00 peak 315 assign ( resid 107 and name HG2+ ) ( resid 108 and name HN ) 4.12 4.12 0.00 peak 317 assign ( resid 137 and name HA ) ( resid 140 and name HN ) 4.58 4.58 0.00 peak 322 assign ( resid 140 and name HN ) ( resid 140 and name HB2 ) 3.79 3.79 0.00 peak 325 assign ( resid 131 and name HN ) ( resid 133 and name HN ) 4.94 4.94 0.00 peak 327 assign ( resid 129 and name HA ) ( resid 133 and name HN ) 4.07 4.07 0.00 peak 329 assign ( resid 133 and name HN ) ( resid 133 and name HB2 ) 4.18 4.18 0.00 peak 331 assign ( resid 132 and name HB2 ) ( resid 133 and name HN ) 4.22 4.22 0.00 peak 333 assign ( resid 132 and name HB1 ) ( resid 133 and name HN ) 4.22 4.22 0.00 peak 334 assign ( resid 129 and name HD2+ ) ( resid 133 and name HN ) 5.50 5.50 0.00 peak 335 assign ( resid 13 and name HA ) ( resid 16 and name HN ) 4.16 4.16 0.00 peak 338 assign ( resid 16 and name HN ) ( resid 16 and name HB2 ) 3.76 3.76 0.00 peak 341 assign ( resid 16 and name HN ) ( resid 16 and name HB1 ) 3.76 3.76 0.00 peak 342 assign ( resid 145 and name HN ) ( resid 146 and name HN ) 3.90 3.90 0.00 peak 344 assign ( resid 145 and name HB ) ( resid 146 and name HN ) 3.76 3.76 0.00 peak 346 assign ( resid 56 and name HN ) ( resid 73 and name HN ) 4.19 4.19 0.00 peak 351 assign ( resid 55 and name HA ) ( resid 56 and name HN ) 3.15 3.15 0.00 peak 353 assign ( resid 56 and name HN ) ( resid 72 and name HA ) 3.86 3.86 0.00 peak 354 assign ( resid 56 and name HN ) ( resid 56 and name HB ) 3.81 3.81 0.00 peak 355 assign ( resid 56 and name HN ) ( resid 73 and name HG ) 4.01 4.01 0.00 peak 356 assign ( resid 55 and name HB2 ) ( resid 56 and name HN ) 4.07 4.07 0.00 peak 358 assign ( resid 55 and name HD2+ ) ( resid 56 and name HN ) 4.47 4.47 0.00 peak 361 assign ( resid 110 and name HN ) ( resid 110 and name HB2 ) 3.42 3.42 0.00 peak 365 assign ( resid 110 and name HN ) ( resid 110 and name HB1 ) 3.42 3.42 0.00 peak 366 assign ( resid 109 and name HB ) ( resid 110 and name HN ) 3.60 3.60 0.00 peak 367 assign ( resid 40 and name HG2+ ) ( resid 110 and name HN ) 4.26 4.26 0.00 peak 368 assign ( resid 109 and name HG2+ ) ( resid 110 and name HN ) 3.69 3.69 0.00 peak 370 assign ( resid 116 and name HA ) ( resid 117 and name HN ) 3.37 3.37 0.00 peak 373 assign ( resid 117 and name HN ) ( resid 117 and name HB2 ) 3.88 3.88 0.00 peak 374 assign ( resid 116 and name HB1 ) ( resid 117 and name HN ) 4.30 4.30 0.00 peak 376 assign ( resid 116 and name HB2 ) ( resid 117 and name HN ) 3.75 3.75 0.00 peak 377 assign ( resid 92 and name HN ) ( resid 93 and name HN ) 3.32 3.32 0.00 peak 378 assign ( resid 93 and name HN ) ( resid 93 and name HB2 ) 3.81 3.81 0.00 peak 381 assign ( resid 93 and name HN ) ( resid 93 and name HB1 ) 3.81 3.81 0.00 peak 382 assign ( resid 92 and name HB2 ) ( resid 93 and name HN ) 4.45 4.45 0.00 peak 383 assign ( resid 127 and name HN ) ( resid 128 and name HN ) 3.43 3.43 0.00 peak 387 assign ( resid 126 and name HN ) ( resid 127 and name HN ) 3.57 3.57 0.00 peak 388 assign ( resid 79 and name HA ) ( resid 127 and name HN ) 3.74 3.74 0.00 peak 389 assign ( resid 79 and name HB2 ) ( resid 127 and name HN ) 5.19 5.19 0.00 peak 395 assign ( resid 79 and name HB1 ) ( resid 127 and name HN ) 5.19 5.19 0.00 peak 397 assign ( resid 126 and name HB+ ) ( resid 127 and name HN ) 3.54 3.54 0.00 peak 399 assign ( resid 129 and name HN ) ( resid 130 and name HN ) 3.60 3.60 0.00 peak 400 assign ( resid 126 and name HN ) ( resid 129 and name HN ) 5.50 5.50 0.00 peak 401 assign ( resid 129 and name HN ) ( resid 131 and name HN ) 5.50 5.50 0.00 peak 401 assign ( resid 126 and name HA ) ( resid 129 and name HN ) 4.37 4.37 0.00 peak 403 assign ( resid 129 and name HN ) ( resid 129 and name HB2 ) 3.44 3.44 0.00 peak 404 assign ( resid 129 and name HN ) ( resid 129 and name HB1 ) 3.98 3.98 0.00 peak 405 assign ( resid 129 and name HN ) ( resid 129 and name HD1+ ) 4.16 4.16 0.00 peak 406 assign ( resid 29 and name HN ) ( resid 37 and name HN ) 4.21 4.21 0.00 peak 407 assign ( resid 29 and name HN ) ( resid 29 and name HB2 ) 3.77 3.77 0.00 peak 410 assign ( resid 28 and name HA ) ( resid 29 and name HN ) 3.28 3.28 0.00 peak 411 assign ( resid 85 and name HN ) ( resid 86 and name HN ) 3.37 3.37 0.00 peak 413 assign ( resid 82 and name HD+ ) ( resid 86 and name HN ) 4.53 4.53 0.00 peak 414 assign ( resid 86 and name HN ) ( resid 86 and name HB2 ) 4.03 4.03 0.00 peak 416 assign ( resid 82 and name HB1 ) ( resid 86 and name HN ) 4.43 4.43 0.00 peak 419 assign ( resid 37 and name HN ) ( resid 38 and name HN ) 4.69 4.69 0.00 peak 420 assign ( resid 27 and name HN ) ( resid 37 and name HN ) 4.01 4.01 0.00 peak 421 assign ( resid 36 and name HA ) ( resid 37 and name HN ) 3.14 3.14 0.00 peak 422 assign ( resid 28 and name HA ) ( resid 37 and name HN ) 4.03 4.03 0.00 peak 423 assign ( resid 36 and name HB1 ) ( resid 37 and name HN ) 3.65 3.65 0.00 peak 424 assign ( resid 37 and name HN ) ( resid 37 and name HB2 ) 3.74 3.74 0.00 peak 425 assign ( resid 37 and name HN ) ( resid 38 and name HB+ ) 5.50 5.50 0.00 peak 426 assign ( resid 10 and name HN ) ( resid 12 and name HN ) 4.28 4.28 0.00 peak 427 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 3.36 3.36 0.00 peak 431 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 4.38 4.38 0.00 peak 432 assign ( resid 125 and name HA ) ( resid 128 and name HN ) 4.26 4.26 0.00 peak 433 assign ( resid 11 and name HA ) ( resid 15 and name HN ) 4.77 4.77 0.00 peak 434 assign ( resid 13 and name HB1 ) ( resid 15 and name HN ) 5.50 5.50 0.00 peak 438 assign ( resid 15 and name HN ) ( resid 15 and name HD2 ) 5.50 5.50 0.00 peak 438 assign ( resid 15 and name HN ) ( resid 15 and name HB2 ) 3.18 3.18 0.00 peak 442 assign ( resid 15 and name HN ) ( resid 15 and name HB1 ) 3.18 3.18 0.00 peak 442 assign ( resid 10 and name HN ) ( resid 33 and name HD1+ ) 4.37 4.37 0.00 peak 445 assign ( resid 65 and name HN ) ( resid 66 and name HN ) 3.25 3.25 0.00 peak 447 assign ( resid 63 and name HB1 ) ( resid 66 and name HN ) 3.75 3.75 0.00 peak 449 assign ( resid 66 and name HN ) ( resid 66 and name HB1 ) 3.81 3.81 0.00 peak 451 assign ( resid 66 and name HN ) ( resid 66 and name HB2 ) 3.81 3.81 0.00 peak 452 assign ( resid 114 and name HN ) ( resid 115 and name HN ) 3.10 3.10 0.00 peak 456 assign ( resid 114 and name HB1 ) ( resid 115 and name HN ) 3.42 3.42 0.00 peak 460 assign ( resid 115 and name HN ) ( resid 115 and name HB2 ) 3.92 3.92 0.00 peak 463 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 3.60 3.60 0.00 peak 466 assign ( resid 130 and name HN ) ( resid 131 and name HN ) 3.68 3.68 0.00 peak 468 assign ( resid 4 and name HA ) ( resid 7 and name HN ) 3.87 3.87 0.00 peak 470 assign ( resid 130 and name HN ) ( resid 130 and name HB2 ) 3.54 3.54 0.00 peak 474 assign ( resid 130 and name HN ) ( resid 130 and name HB1 ) 3.54 3.54 0.00 peak 475 assign ( resid 6 and name HB2 ) ( resid 7 and name HN ) 4.05 4.05 0.00 peak 476 assign ( resid 7 and name HN ) ( resid 7 and name HB2 ) 3.53 3.53 0.00 peak 477 assign ( resid 7 and name HN ) ( resid 7 and name HB1 ) 3.53 3.53 0.00 peak 477 assign ( resid 6 and name HB1 ) ( resid 7 and name HN ) 4.05 4.05 0.00 peak 478 assign ( resid 129 and name HB1 ) ( resid 130 and name HN ) 4.48 4.48 0.00 peak 478 assign ( resid 106 and name HN ) ( resid 106 and name HB1 ) 3.77 3.77 0.00 peak 479 assign ( resid 129 and name HD1+ ) ( resid 130 and name HN ) 5.50 5.50 0.00 peak 480 assign ( resid 129 and name HD2+ ) ( resid 130 and name HN ) 5.50 5.50 0.00 peak 480 assign ( resid 105 and name HD1+ ) ( resid 106 and name HN ) 4.52 4.52 0.00 peak 482 assign ( resid 101 and name HB2 ) ( resid 102 and name HN ) 3.94 3.94 0.00 peak 487 assign ( resid 102 and name HN ) ( resid 102 and name HG2+ ) 4.07 4.07 0.00 peak 490 assign ( resid 16 and name HN ) ( resid 18 and name HN ) 4.19 4.19 0.00 peak 493 assign ( resid 18 and name HN ) ( resid 18 and name HG2 ) 3.81 3.81 0.00 peak 495 assign ( resid 49 and name HB2 ) ( resid 50 and name HN ) 4.20 4.20 0.00 peak 502 assign ( resid 137 and name HD+ ) ( resid 138 and name HN ) 4.14 4.14 0.00 peak 506 assign ( resid 135 and name HA ) ( resid 138 and name HN ) 4.29 4.29 0.00 peak 507 assign ( resid 137 and name HB2 ) ( resid 138 and name HN ) 3.91 3.91 0.00 peak 510 assign ( resid 137 and name HB1 ) ( resid 138 and name HN ) 3.91 3.91 0.00 peak 511 assign ( resid 138 and name HN ) ( resid 138 and name HG2 ) 4.17 4.17 0.00 peak 511 assign ( resid 138 and name HN ) ( resid 138 and name HB2 ) 3.66 3.66 0.00 peak 512 assign ( resid 138 and name HN ) ( resid 138 and name HB1 ) 3.66 3.66 0.00 peak 513 assign ( resid 148 and name HN ) ( resid 148 and name HB2 ) 3.75 3.75 0.00 peak 515 assign ( resid 148 and name HN ) ( resid 148 and name HB1 ) 3.75 3.75 0.00 peak 515 assign ( resid 146 and name HB2 ) ( resid 147 and name HN ) 4.26 4.26 0.00 peak 517 assign ( resid 147 and name HN ) ( resid 147 and name HG2 ) 4.49 4.49 0.00 peak 517 assign ( resid 146 and name HB1 ) ( resid 147 and name HN ) 4.26 4.26 0.00 peak 518 assign ( resid 144 and name HN ) ( resid 145 and name HN ) 3.80 3.80 0.00 peak 520 assign ( resid 141 and name HA ) ( resid 144 and name HN ) 4.36 4.36 0.00 peak 523 assign ( resid 144 and name HN ) ( resid 144 and name HB ) 3.64 3.64 0.00 peak 524 assign ( resid 144 and name HN ) ( resid 144 and name HG12 ) 4.31 4.31 0.00 peak 525 assign ( resid 144 and name HN ) ( resid 144 and name HD1+ ) 4.17 4.17 0.00 peak 528 assign ( resid 113 and name HN ) ( resid 115 and name HN ) 4.67 4.67 0.00 peak 529 assign ( resid 112 and name HB2 ) ( resid 113 and name HN ) 4.13 4.13 0.00 peak 533 assign ( resid 113 and name HN ) ( resid 113 and name HG ) 3.23 3.23 0.00 peak 534 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 3.77 3.77 0.00 peak 539 assign ( resid 6 and name HN ) ( resid 6 and name HB2 ) 3.96 3.96 0.00 peak 541 assign ( resid 141 and name HN ) ( resid 142 and name HN ) 3.58 3.58 0.00 peak 543 assign ( resid 142 and name HN ) ( resid 142 and name HA ) 2.92 2.92 0.00 peak 546 assign ( resid 141 and name HB ) ( resid 142 and name HN ) 4.02 4.02 0.00 peak 548 assign ( resid 141 and name HG2+ ) ( resid 142 and name HN ) 4.10 4.10 0.00 peak 550 assign ( resid 101 and name HN ) ( resid 104 and name HN ) 3.80 3.80 0.00 peak 551 assign ( resid 100 and name HA ) ( resid 101 and name HN ) 3.16 3.16 0.00 peak 554 assign ( resid 101 and name HN ) ( resid 104 and name HA ) 5.38 5.38 0.00 peak 555 assign ( resid 101 and name HN ) ( resid 104 and name HB2 ) 4.09 4.09 0.00 peak 556 assign ( resid 101 and name HN ) ( resid 104 and name HB1 ) 4.09 4.09 0.00 peak 557 assign ( resid 100 and name HB2 ) ( resid 101 and name HN ) 4.41 4.41 0.00 peak 560 assign ( resid 132 and name HN ) ( resid 133 and name HN ) 3.54 3.54 0.00 peak 561 assign ( resid 131 and name HN ) ( resid 132 and name HN ) 3.57 3.57 0.00 peak 562 assign ( resid 129 and name HA ) ( resid 132 and name HN ) 4.01 4.01 0.00 peak 564 assign ( resid 131 and name HG1 ) ( resid 132 and name HN ) 4.33 4.33 0.00 peak 566 assign ( resid 132 and name HN ) ( resid 132 and name HB1 ) 3.61 3.61 0.00 peak 567 assign ( resid 73 and name HN ) ( resid 74 and name HN ) 3.29 3.29 0.00 peak 574 assign ( resid 55 and name HA ) ( resid 74 and name HN ) 4.35 4.35 0.00 peak 576 assign ( resid 73 and name HB1 ) ( resid 74 and name HN ) 3.80 3.80 0.00 peak 584 assign ( resid 73 and name HB2 ) ( resid 74 and name HN ) 3.67 3.67 0.00 peak 585 assign ( resid 73 and name HD1+ ) ( resid 74 and name HN ) 5.50 5.50 0.00 peak 586 assign ( resid 73 and name HD2+ ) ( resid 74 and name HN ) 5.50 5.50 0.00 peak 586 assign ( resid 25 and name HN ) ( resid 39 and name HN ) 3.62 3.62 0.00 peak 587 assign ( resid 25 and name HN ) ( resid 26 and name HN ) 4.68 4.68 0.00 peak 588 assign ( resid 24 and name HA ) ( resid 25 and name HN ) 2.90 2.90 0.00 peak 589 assign ( resid 25 and name HN ) ( resid 40 and name HA ) 3.86 3.86 0.00 peak 591 assign ( resid 25 and name HN ) ( resid 25 and name HB2 ) 4.00 4.00 0.00 peak 593 assign ( resid 24 and name HB ) ( resid 25 and name HN ) 4.06 4.06 0.00 peak 595 assign ( resid 25 and name HN ) ( resid 39 and name HB ) 5.23 5.23 0.00 peak 596 assign ( resid 25 and name HN ) ( resid 39 and name HG1+ ) 4.98 4.98 0.00 peak 597 assign ( resid 112 and name HN ) ( resid 114 and name HN ) 4.28 4.28 0.00 peak 599 assign ( resid 111 and name HA ) ( resid 114 and name HN ) 4.26 4.26 0.00 peak 601 assign ( resid 114 and name HN ) ( resid 114 and name HB1 ) 3.25 3.25 0.00 peak 603 assign ( resid 43 and name HG2 ) ( resid 114 and name HN ) 5.08 5.08 0.00 peak 604 assign ( resid 113 and name HB1 ) ( resid 114 and name HN ) 4.54 4.54 0.00 peak 606 assign ( resid 113 and name HD1+ ) ( resid 114 and name HN ) 4.99 4.99 0.00 peak 606 assign ( resid 123 and name HN ) ( resid 123 and name HB2 ) 3.79 3.79 0.00 peak 612 assign ( resid 122 and name HB+ ) ( resid 123 and name HN ) 3.44 3.44 0.00 peak 613 assign ( resid 102 and name HN ) ( resid 103 and name HN ) 4.07 4.07 0.00 peak 615 assign ( resid 102 and name HG1+ ) ( resid 103 and name HN ) 4.16 4.16 0.00 peak 618 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.38 3.38 0.00 peak 619 assign ( resid 14 and name HA ) ( resid 17 and name HN ) 3.90 3.90 0.00 peak 621 assign ( resid 17 and name HN ) ( resid 17 and name HB2 ) 3.45 3.45 0.00 peak 623 assign ( resid 17 and name HN ) ( resid 17 and name HB1 ) 3.45 3.45 0.00 peak 623 assign ( resid 59 and name HD+ ) ( resid 60 and name HN ) 4.31 4.31 0.00 peak 628 assign ( resid 59 and name HB2 ) ( resid 60 and name HN ) 4.31 4.31 0.00 peak 632 assign ( resid 59 and name HB1 ) ( resid 60 and name HN ) 4.31 4.31 0.00 peak 633 assign ( resid 92 and name HN ) ( resid 92 and name HB2 ) 3.90 3.90 0.00 peak 638 assign ( resid 92 and name HN ) ( resid 92 and name HB1 ) 3.90 3.90 0.00 peak 639 assign ( resid 92 and name HN ) ( resid 92 and name HD2+ ) 4.43 4.43 0.00 peak 642 assign ( resid 34 and name HN ) ( resid 34 and name HG1 ) 3.87 3.87 0.00 peak 647 assign ( resid 33 and name HG2+ ) ( resid 34 and name HN ) 3.75 3.75 0.00 peak 649 assign ( resid 111 and name HN ) ( resid 112 and name HN ) 3.42 3.42 0.00 peak 650 assign ( resid 110 and name HB2 ) ( resid 111 and name HN ) 4.03 4.03 0.00 peak 653 assign ( resid 110 and name HG2 ) ( resid 111 and name HN ) 5.44 5.44 0.00 peak 654 assign ( resid 110 and name HB1 ) ( resid 111 and name HN ) 4.03 4.03 0.00 peak 655 assign ( resid 109 and name HB ) ( resid 111 and name HN ) 5.50 5.50 0.00 peak 656 assign ( resid 111 and name HN ) ( resid 112 and name HB2 ) 5.50 5.50 0.00 peak 656 assign ( resid 111 and name HN ) ( resid 112 and name HB1 ) 5.50 5.50 0.00 peak 656 assign ( resid 2 and name HB2 ) ( resid 3 and name HN ) 5.23 5.23 0.00 peak 660 assign ( resid 2 and name HB1 ) ( resid 3 and name HN ) 5.23 5.23 0.00 peak 660 assign ( resid 3 and name HN ) ( resid 6 and name HB2 ) 4.15 4.15 0.00 peak 662 assign ( resid 3 and name HN ) ( resid 6 and name HB1 ) 4.15 4.15 0.00 peak 663 assign ( resid 44 and name HA ) ( resid 45 and name HN ) 3.15 3.15 0.00 peak 673 assign ( resid 45 and name HN ) ( resid 49 and name HB1 ) 4.38 4.38 0.00 peak 675 assign ( resid 106 and name HN ) ( resid 107 and name HN ) 3.51 3.51 0.00 peak 685 assign ( resid 107 and name HN ) ( resid 110 and name HN ) 5.23 5.23 0.00 peak 686 assign ( resid 107 and name HN ) ( resid 108 and name HN ) 3.43 3.43 0.00 peak 687 assign ( resid 103 and name HA ) ( resid 107 and name HN ) 4.41 4.41 0.00 peak 690 assign ( resid 106 and name HB2 ) ( resid 107 and name HN ) 3.59 3.59 0.00 peak 691 assign ( resid 107 and name HN ) ( resid 107 and name HG2+ ) 3.33 3.33 0.00 peak 692 assign ( resid 24 and name HG2+ ) ( resid 107 and name HN ) 4.99 4.99 0.00 peak 693 assign ( resid 106 and name HD1+ ) ( resid 107 and name HN ) 5.28 5.28 0.00 peak 693 assign ( resid 58 and name HN ) ( resid 69 and name HN ) 4.08 4.08 0.00 peak 700 assign ( resid 69 and name HN ) ( resid 70 and name HN ) 4.31 4.31 0.00 peak 701 assign ( resid 69 and name HN ) ( resid 69 and name HB ) 3.60 3.60 0.00 peak 704 assign ( resid 57 and name HG2+ ) ( resid 69 and name HN ) 4.39 4.39 0.00 peak 707 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 4.66 4.66 0.00 peak 722 assign ( resid 48 and name HN ) ( resid 51 and name HN ) 5.50 5.50 0.00 peak 723 assign ( resid 51 and name HN ) ( resid 145 and name HG1+ ) 4.31 4.31 0.00 peak 728 assign ( resid 45 and name HN ) ( resid 46 and name HN ) 3.61 3.61 0.00 peak 729 assign ( resid 46 and name HN ) ( resid 46 and name HB ) 4.09 4.09 0.00 peak 732 assign ( resid 44 and name HA ) ( resid 46 and name HN ) 3.80 3.80 0.00 peak 734 assign ( resid 46 and name HN ) ( resid 49 and name HB2 ) 3.93 3.93 0.00 peak 736 assign ( resid 46 and name HN ) ( resid 49 and name HB1 ) 3.63 3.63 0.00 peak 739 assign ( resid 46 and name HN ) ( resid 46 and name HG2+ ) 3.48 3.48 0.00 peak 740 assign ( resid 84 and name HA ) ( resid 85 and name HN ) 3.53 3.53 0.00 peak 743 assign ( resid 83 and name HA ) ( resid 85 and name HN ) 4.21 4.21 0.00 peak 744 assign ( resid 97 and name HA ) ( resid 99 and name HN ) 4.92 4.92 0.00 peak 753 assign ( resid 99 and name HN ) ( resid 99 and name HG2+ ) 3.77 3.77 0.00 peak 755 assign ( resid 26 and name HN ) ( resid 27 and name HN ) 4.94 4.94 0.00 peak 756 assign ( resid 25 and name HA ) ( resid 26 and name HN ) 3.06 3.06 0.00 peak 759 assign ( resid 25 and name HB1 ) ( resid 26 and name HN ) 4.22 4.22 0.00 peak 762 assign ( resid 26 and name HN ) ( resid 106 and name HD1+ ) 5.50 5.50 0.00 peak 764 assign ( resid 34 and name HN ) ( resid 35 and name HN ) 3.28 3.28 0.00 peak 766 assign ( resid 35 and name HN ) ( resid 36 and name HD1 ) 4.07 4.07 0.00 peak 767 assign ( resid 35 and name HN ) ( resid 35 and name HB1 ) 3.89 3.89 0.00 peak 769 assign ( resid 35 and name HN ) ( resid 35 and name HB2 ) 3.89 3.89 0.00 peak 770 assign ( resid 80 and name HN ) ( resid 80 and name HB2 ) 4.02 4.02 0.00 peak 776 assign ( resid 80 and name HN ) ( resid 80 and name HB1 ) 4.02 4.02 0.00 peak 777 assign ( resid 145 and name HN ) ( resid 145 and name HB ) 3.45 3.45 0.00 peak 778 assign ( resid 58 and name HN ) ( resid 58 and name HB1 ) 3.88 3.88 0.00 peak 779 assign ( resid 57 and name HG2+ ) ( resid 58 and name HN ) 3.70 3.70 0.00 peak 780 assign ( resid 33 and name HD1+ ) ( resid 36 and name HE1 ) 4.10 4.10 0.00 peak 785 assign ( resid 9 and name HD1+ ) ( resid 36 and name HE1 ) 4.43 4.43 0.00 peak 786 assign ( resid 65 and name HA ) ( resid 96 and name HE1 ) 3.71 3.71 0.00 peak 790 assign ( resid 51 and name HA1 ) ( resid 149 and name HE1 ) 4.28 4.28 0.00 peak 795 assign ( resid 51 and name HA2 ) ( resid 149 and name HE1 ) 4.28 4.28 0.00 peak 796 assign ( resid 87 and name HG2+ ) ( resid 89 and name HN ) 4.43 4.43 0.00 peak 800 assign ( resid 57 and name HA ) ( resid 58 and name HN ) 3.07 3.07 0.00 peak 803 assign ( resid 57 and name HB ) ( resid 58 and name HN ) 4.32 4.32 0.00 peak 805 assign ( resid 58 and name HN ) ( resid 69 and name HG2+ ) 4.39 4.39 0.00 peak 806 assign ( resid 56 and name HG1+ ) ( resid 58 and name HN ) 5.50 5.50 0.00 peak 807 assign ( resid 56 and name HG2+ ) ( resid 58 and name HN ) 5.50 5.50 0.00 peak 807 assign ( resid 58 and name HN ) ( resid 69 and name HB ) 4.45 4.45 0.00 peak 813 assign ( resid 142 and name HA ) ( resid 145 and name HN ) 4.05 4.05 0.00 peak 815 assign ( resid 77 and name HN ) ( resid 144 and name HG12 ) 5.50 5.50 0.00 peak 820 assign ( resid 76 and name HB1 ) ( resid 77 and name HN ) 4.75 4.75 0.00 peak 821 assign ( resid 71 and name HN ) ( resid 71 and name HG2 ) 4.60 4.60 0.00 peak 822 assign ( resid 71 and name HN ) ( resid 71 and name HG1 ) 4.60 4.60 0.00 peak 823 assign ( resid 56 and name HN ) ( resid 71 and name HN ) 3.82 3.82 0.00 peak 825 assign ( resid 54 and name HG2 ) ( resid 55 and name HN ) 5.24 5.24 0.00 peak 827 assign ( resid 54 and name HB1 ) ( resid 55 and name HN ) 4.41 4.41 0.00 peak 828 assign ( resid 77 and name HB1 ) ( resid 78 and name HN ) 4.73 4.73 0.00 peak 829 assign ( resid 53 and name HD+ ) ( resid 54 and name HN ) 4.45 4.45 0.00 peak 832 assign ( resid 40 and name HN ) ( resid 41 and name HD+ ) 5.27 5.27 0.00 peak 833 assign ( resid 138 and name HB2 ) ( resid 139 and name HN ) 4.11 4.11 0.00 peak 835 assign ( resid 138 and name HB1 ) ( resid 139 and name HN ) 4.11 4.11 0.00 peak 836 assign ( resid 139 and name HN ) ( resid 139 and name HG2 ) 4.16 4.16 0.00 peak 838 assign ( resid 139 and name HN ) ( resid 139 and name HG1 ) 4.16 4.16 0.00 peak 839 assign ( resid 13 and name HN ) ( resid 13 and name HB2 ) 3.45 3.45 0.00 peak 840 assign ( resid 13 and name HN ) ( resid 13 and name HB1 ) 3.41 3.41 0.00 peak 841 assign ( resid 6 and name HA ) ( resid 9 and name HN ) 4.46 4.46 0.00 peak 842 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 3.56 3.56 0.00 peak 844 assign ( resid 138 and name HN ) ( resid 139 and name HN ) 3.77 3.77 0.00 peak 845 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 3.90 3.90 0.00 peak 849 assign ( resid 81 and name HN ) ( resid 122 and name HB+ ) 3.82 3.82 0.00 peak 850 assign ( resid 81 and name HN ) ( resid 81 and name HG1+ ) 4.14 4.14 0.00 peak 852 assign ( resid 81 and name HN ) ( resid 81 and name HB ) 3.50 3.50 0.00 peak 853 assign ( resid 81 and name HN ) ( resid 123 and name HB2 ) 4.50 4.50 0.00 peak 854 assign ( resid 4 and name HG1 ) ( resid 5 and name HN ) 4.21 4.21 0.00 peak 856 assign ( resid 13 and name HN ) ( resid 36 and name HH2 ) 4.35 4.35 0.00 peak 857 assign ( resid 141 and name HN ) ( resid 141 and name HG1+ ) 3.95 3.95 0.00 peak 860 assign ( resid 140 and name HN ) ( resid 141 and name HN ) 3.43 3.43 0.00 peak 861 assign ( resid 141 and name HN ) ( resid 141 and name HG2+ ) 3.95 3.95 0.00 peak 863 assign ( resid 140 and name HN ) ( resid 140 and name HB1 ) 3.79 3.79 0.00 peak 864 assign ( resid 137 and name HA ) ( resid 141 and name HN ) 4.63 4.63 0.00 peak 865 assign ( resid 139 and name HA ) ( resid 141 and name HN ) 5.18 5.18 0.00 peak 865 assign ( resid 143 and name HA ) ( resid 146 and name HN ) 4.12 4.12 0.00 peak 868 assign ( resid 27 and name HN ) ( resid 38 and name HA ) 3.61 3.61 0.00 peak 872 assign ( resid 26 and name HA2 ) ( resid 27 and name HN ) 3.18 3.18 0.00 peak 873 assign ( resid 27 and name HN ) ( resid 36 and name HB1 ) 4.46 4.46 0.00 peak 874 assign ( resid 27 and name HN ) ( resid 28 and name HD1 ) 4.99 4.99 0.00 peak 876 assign ( resid 27 and name HN ) ( resid 57 and name HD1+ ) 5.27 5.27 0.00 peak 877 assign ( resid 27 and name HN ) ( resid 38 and name HB+ ) 4.11 4.11 0.00 peak 878 assign ( resid 92 and name HB1 ) ( resid 93 and name HN ) 4.45 4.45 0.00 peak 880 assign ( resid 37 and name HN ) ( resid 57 and name HD1+ ) 5.04 5.04 0.00 peak 882 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 4.00 4.00 0.00 peak 888 assign ( resid 19 and name HN ) ( resid 19 and name HB2 ) 3.84 3.84 0.00 peak 892 assign ( resid 19 and name HN ) ( resid 20 and name HD1 ) 3.98 3.98 0.00 peak 893 assign ( resid 62 and name HB1 ) ( resid 66 and name HN ) 5.50 5.50 0.00 peak 895 assign ( resid 19 and name HN ) ( resid 20 and name HD2 ) 3.98 3.98 0.00 peak 896 assign ( resid 111 and name HA ) ( resid 113 and name HN ) 4.74 4.74 0.00 peak 900 assign ( resid 110 and name HA ) ( resid 113 and name HN ) 4.58 4.58 0.00 peak 901 assign ( resid 114 and name HN ) ( resid 114 and name HB2 ) 3.26 3.26 0.00 peak 905 assign ( resid 113 and name HB2 ) ( resid 114 and name HN ) 4.54 4.54 0.00 peak 906 assign ( resid 102 and name HG2+ ) ( resid 103 and name HN ) 4.16 4.16 0.00 peak 909 assign ( resid 102 and name HB ) ( resid 103 and name HN ) 4.23 4.23 0.00 peak 911 assign ( resid 48 and name HN ) ( resid 48 and name HD+ ) 3.49 3.49 0.00 peak 914 assign ( resid 46 and name HG2+ ) ( resid 48 and name HN ) 4.35 4.35 0.00 peak 915 assign ( resid 48 and name HN ) ( resid 49 and name HB1 ) 4.19 4.19 0.00 peak 916 assign ( resid 48 and name HN ) ( resid 48 and name HB2 ) 3.90 3.90 0.00 peak 918 assign ( resid 48 and name HN ) ( resid 48 and name HB1 ) 3.82 3.82 0.00 peak 919 assign ( resid 46 and name HB ) ( resid 48 and name HN ) 4.00 4.00 0.00 peak 920 assign ( resid 35 and name HE22 ) ( resid 56 and name HG1+ ) 5.50 5.50 0.00 peak 926 assign ( resid 35 and name HE22 ) ( resid 56 and name HG2+ ) 5.50 5.50 0.00 peak 926 assign ( resid 131 and name HN ) ( resid 131 and name HG2 ) 3.92 3.92 0.00 peak 930 assign ( resid 48 and name HA ) ( resid 51 and name HN ) 4.41 4.41 0.00 peak 940 assign ( resid 97 and name HB2 ) ( resid 99 and name HN ) 4.45 4.45 0.00 peak 942 assign ( resid 97 and name HB1 ) ( resid 99 and name HN ) 4.45 4.45 0.00 peak 943 assign ( resid 5 and name HA ) ( resid 9 and name HN ) 5.25 5.25 0.00 peak 947 assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 4.14 4.14 0.00 peak 949 assign ( resid 24 and name HN ) ( resid 25 and name HN ) 4.70 4.70 0.00 peak 950 assign ( resid 25 and name HN ) ( resid 38 and name HB+ ) 4.47 4.47 0.00 peak 952 assign ( resid 26 and name HN ) ( resid 27 and name HB+ ) 4.54 4.54 0.00 peak 953 assign ( resid 22 and name HN ) ( resid 23 and name HA1 ) 5.50 5.50 0.00 peak 956 assign ( resid 29 and name HN ) ( resid 29 and name HB1 ) 3.77 3.77 0.00 peak 957 assign ( resid 36 and name HN ) ( resid 57 and name HD1+ ) 4.84 4.84 0.00 peak 958 assign ( resid 16 and name HG ) ( resid 26 and name HN ) 5.50 5.50 0.00 peak 959 assign ( resid 26 and name HN ) ( resid 106 and name HG ) 5.50 5.50 0.00 peak 959 assign ( resid 136 and name HN ) ( resid 137 and name HB2 ) 5.20 5.20 0.00 peak 960 assign ( resid 56 and name HN ) ( resid 72 and name HN ) 5.49 5.49 0.00 peak 963 assign ( resid 133 and name HN ) ( resid 136 and name HN ) 5.19 5.19 0.00 peak 966 assign ( resid 132 and name HN ) ( resid 132 and name HG1 ) 4.03 4.03 0.00 peak 967 assign ( resid 132 and name HN ) ( resid 132 and name HB2 ) 3.61 3.61 0.00 peak 968 assign ( resid 81 and name HN ) ( resid 81 and name HG2+ ) 4.14 4.14 0.00 peak 970 assign ( resid 58 and name HN ) ( resid 70 and name HN ) 5.32 5.32 0.00 peak 973 assign ( resid 105 and name HN ) ( resid 107 and name HN ) 5.50 5.50 0.00 peak 973 assign ( resid 143 and name HN ) ( resid 145 and name HN ) 4.49 4.49 0.00 peak 979 assign ( resid 142 and name HN ) ( resid 145 and name HB ) 5.50 5.50 0.00 peak 980 assign ( resid 137 and name HD+ ) ( resid 141 and name HN ) 5.36 5.36 0.00 peak 981 assign ( resid 141 and name HN ) ( resid 144 and name HN ) 5.50 5.50 0.00 peak 981 assign ( resid 139 and name HN ) ( resid 140 and name HN ) 3.47 3.47 0.00 peak 984 assign ( resid 125 and name HA ) ( resid 129 and name HN ) 4.43 4.43 0.00 peak 987 assign ( resid 3 and name HN ) ( resid 5 and name HN ) 5.48 5.48 0.00 peak 993 assign ( resid 112 and name HA ) ( resid 114 and name HN ) 4.73 4.73 0.00 peak 997 assign ( resid 43 and name HG1 ) ( resid 114 and name HN ) 5.08 5.08 0.00 peak 998 assign ( resid 112 and name HN ) ( resid 112 and name HB2 ) 3.60 3.60 0.00 peak 1000 assign ( resid 106 and name HD2+ ) ( resid 107 and name HN ) 5.28 5.28 0.00 peak 1004 assign ( resid 97 and name HB2 ) ( resid 100 and name HN ) 4.58 4.58 0.00 peak 1008 assign ( resid 95 and name HG2 ) ( resid 96 and name HN ) 5.50 5.50 0.00 peak 1009 assign ( resid 95 and name HG1 ) ( resid 96 and name HN ) 5.50 5.50 0.00 peak 1009 assign ( resid 66 and name HN ) ( resid 96 and name HE1 ) 5.33 5.33 0.00 peak 1012 assign ( resid 91 and name HA ) ( resid 93 and name HN ) 4.43 4.43 0.00 peak 1015 assign ( resid 106 and name HN ) ( resid 107 and name HG2+ ) 4.81 4.81 0.00 peak 1031 assign ( resid 127 and name HB+ ) ( resid 130 and name HN ) 5.26 5.26 0.00 peak 1031 assign ( resid 89 and name HN ) ( resid 92 and name HN ) 4.61 4.61 0.00 peak 1033 assign ( resid 88 and name HB1 ) ( resid 89 and name HN ) 4.79 4.79 0.00 peak 1035 assign ( resid 87 and name HB ) ( resid 88 and name HN ) 4.53 4.53 0.00 peak 1037 assign ( resid 87 and name HG12 ) ( resid 88 and name HN ) 5.06 5.06 0.00 peak 1038 assign ( resid 88 and name HN ) ( resid 122 and name HB+ ) 5.20 5.20 0.00 peak 1039 assign ( resid 141 and name HN ) ( resid 144 and name HG2+ ) 5.33 5.33 0.00 peak 1040 assign ( resid 70 and name HG1+ ) ( resid 87 and name HN ) 5.12 5.12 0.00 peak 1041 assign ( resid 70 and name HG2+ ) ( resid 87 and name HN ) 5.12 5.12 0.00 peak 1041 assign ( resid 69 and name HN ) ( resid 70 and name HB ) 5.50 5.50 0.00 peak 1044 assign ( resid 72 and name HN ) ( resid 72 and name HE+ ) 5.08 5.08 0.00 peak 1046 assign ( resid 82 and name HN ) ( resid 122 and name HB+ ) 4.98 4.98 0.00 peak 1056 assign ( resid 78 and name HN ) ( resid 81 and name HG2+ ) 5.02 5.02 0.00 peak 1058 assign ( resid 78 and name HN ) ( resid 81 and name HG1+ ) 5.02 5.02 0.00 peak 1061 assign ( resid 9 and name HN ) ( resid 12 and name HN ) 5.05 5.05 0.00 peak 1062 assign ( resid 5 and name HB+ ) ( resid 6 and name HN ) 3.41 3.41 0.00 peak 1063 assign ( resid 6 and name HN ) ( resid 6 and name HB1 ) 3.96 3.96 0.00 peak 1063 assign ( resid 9 and name HN ) ( resid 9 and name HB2 ) 3.85 3.85 0.00 peak 1064 assign ( resid 46 and name HG2+ ) ( resid 49 and name HN ) 4.69 4.69 0.00 peak 1065 assign ( resid 11 and name HA ) ( resid 13 and name HN ) 4.57 4.57 0.00 peak 1067 assign ( resid 140 and name HB2 ) ( resid 141 and name HN ) 4.22 4.22 0.00 peak 1068 assign ( resid 141 and name HN ) ( resid 141 and name HB ) 3.72 3.72 0.00 peak 1068 assign ( resid 17 and name HN ) ( resid 18 and name HN ) 3.23 3.23 0.00 peak 1070 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 3.02 3.02 0.00 peak 1071 assign ( resid 27 and name HN ) ( resid 28 and name HD2 ) 4.99 4.99 0.00 peak 1078 assign ( resid 82 and name HB2 ) ( resid 86 and name HN ) 4.43 4.43 0.00 peak 1080 assign ( resid 36 and name HD1 ) ( resid 37 and name HN ) 4.97 4.97 0.00 peak 1083 assign ( resid 36 and name HN ) ( resid 37 and name HN ) 4.70 4.70 0.00 peak 1084 assign ( resid 44 and name HN ) ( resid 45 and name HN ) 4.73 4.73 0.00 peak 1088 assign ( resid 46 and name HA ) ( resid 48 and name HN ) 4.60 4.60 0.00 peak 1091 assign ( resid 46 and name HB ) ( resid 49 and name HN ) 4.54 4.54 0.00 peak 1094 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 5.36 5.36 0.00 peak 1102 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 5.36 5.36 0.00 peak 1102 assign ( resid 39 and name HG2+ ) ( resid 55 and name HN ) 5.50 5.50 0.00 peak 1103 assign ( resid 55 and name HN ) ( resid 57 and name HD1+ ) 5.50 5.50 0.00 peak 1103 assign ( resid 39 and name HG1+ ) ( resid 55 and name HN ) 5.50 5.50 0.00 peak 1104 assign ( resid 40 and name HD1+ ) ( resid 55 and name HN ) 5.50 5.50 0.00 peak 1104 assign ( resid 58 and name HN ) ( resid 59 and name HN ) 4.64 4.64 0.00 peak 1105 assign ( resid 102 and name HN ) ( resid 104 and name HN ) 4.41 4.41 0.00 peak 1111 assign ( resid 103 and name HN ) ( resid 104 and name HN ) 3.51 3.51 0.00 peak 1113 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 4.52 4.52 0.00 peak 1116 assign ( resid 96 and name HE1 ) ( resid 98 and name HA ) 3.77 3.77 0.00 peak 1117 assign ( resid 33 and name HG2+ ) ( resid 35 and name HN ) 4.96 4.96 0.00 peak 1119 assign ( resid 74 and name HB2 ) ( resid 75 and name HN ) 5.23 5.23 0.00 peak 1121 assign ( resid 74 and name HB1 ) ( resid 75 and name HN ) 5.23 5.23 0.00 peak 1121 assign ( resid 40 and name HB ) ( resid 53 and name HN ) 4.88 4.88 0.00 peak 1125 assign ( resid 58 and name HB1 ) ( resid 59 and name HN ) 4.56 4.56 0.00 peak 1126 assign ( resid 71 and name HN ) ( resid 72 and name HN ) 4.55 4.55 0.00 peak 1128 assign ( resid 113 and name HD2+ ) ( resid 114 and name HN ) 4.99 4.99 0.00 peak 1129 assign ( resid 35 and name HE21 ) ( resid 56 and name HG1+ ) 5.50 5.50 0.00 peak 1139 assign ( resid 35 and name HE21 ) ( resid 56 and name HG2+ ) 5.50 5.50 0.00 peak 1139 assign ( resid 110 and name HN ) ( resid 110 and name HG2 ) 4.96 4.96 0.00 peak 1147 assign ( resid 142 and name HN ) ( resid 144 and name HN ) 4.62 4.62 0.00 peak 1150 assign ( resid 33 and name HA ) ( resid 36 and name HE1 ) 4.36 4.36 0.00 peak 1159 assign ( resid 13 and name HB2 ) ( resid 36 and name HE1 ) 5.50 5.50 0.00 peak 1161 assign ( resid 56 and name HN ) ( resid 57 and name HN ) 4.53 4.53 0.00 peak 1163 assign ( resid 83 and name HB+ ) ( resid 85 and name HN ) 4.39 4.39 0.00 peak 1165 assign ( resid 81 and name HG1+ ) ( resid 82 and name HN ) 4.60 4.60 0.00 peak 1166 assign ( resid 3 and name HN ) ( resid 7 and name HN ) 4.62 4.62 0.00 peak 1168 assign ( resid 102 and name HA ) ( resid 106 and name HN ) 5.40 5.40 0.00 peak 1169 assign ( resid 59 and name HA ) ( resid 60 and name HN ) 3.31 3.31 0.00 peak 1176 assign ( resid 148 and name HN ) ( resid 149 and name HN ) 4.24 4.24 0.00 peak 1182 assign ( resid 62 and name HB1 ) ( resid 63 and name HN ) 4.52 4.52 0.00 peak 1190 assign ( resid 135 and name HA ) ( resid 139 and name HN ) 4.28 4.28 0.00 peak 1191 assign ( resid 136 and name HA ) ( resid 139 and name HN ) 4.49 4.49 0.00 peak 1191 assign ( resid 96 and name HA ) ( resid 97 and name HN ) 3.31 3.31 0.00 peak 1195 assign ( resid 96 and name HE3 ) ( resid 97 and name HN ) 3.39 3.39 0.00 peak 1197 assign ( resid 36 and name HN ) ( resid 36 and name HB1 ) 4.15 4.15 0.00 peak 1201 assign ( resid 36 and name HN ) ( resid 36 and name HB2 ) 3.90 3.90 0.00 peak 1202 assign ( resid 37 and name HN ) ( resid 37 and name HB1 ) 3.74 3.74 0.00 peak 1203 assign ( resid 58 and name HN ) ( resid 58 and name HB2 ) 3.88 3.88 0.00 peak 1205 assign ( resid 26 and name HA1 ) ( resid 27 and name HN ) 3.55 3.55 0.00 peak 1207 assign ( resid 82 and name HN ) ( resid 85 and name HN ) 4.38 4.38 0.00 peak 1208 assign ( resid 76 and name HB2 ) ( resid 77 and name HN ) 4.75 4.75 0.00 peak 1210 assign ( resid 45 and name HN ) ( resid 49 and name HB2 ) 4.58 4.58 0.00 peak 1215 assign ( resid 44 and name HG1 ) ( resid 45 and name HN ) 4.47 4.47 0.00 peak 1216 assign ( resid 34 and name HN ) ( resid 34 and name HG2 ) 3.87 3.87 0.00 peak 1218 assign ( resid 77 and name HB2 ) ( resid 78 and name HN ) 4.73 4.73 0.00 peak 1223 assign ( resid 2 and name HA ) ( resid 6 and name HB+ ) 4.18 4.18 0.00 peak 2829 assign ( resid 2 and name HB+ ) ( resid 3 and name HN ) 4.48 4.48 0.00 peak 660 assign ( resid 3 and name HN ) ( resid 6 and name HB+ ) 3.28 3.28 0.00 peak 662 assign ( resid 4 and name HA ) ( resid 7 and name HB+ ) 3.45 3.45 0.00 peak 70 assign ( resid 4 and name HB+ ) ( resid 5 and name HN ) 3.87 3.87 0.00 peak 250 assign ( resid 4 and name HG2 ) ( resid 64 and name HD+ ) 4.57 4.57 0.00 peak 383 assign ( resid 5 and name HA ) ( resid 8 and name HB+ ) 3.78 3.78 0.00 peak 946 assign ( resid 5 and name HA ) ( resid 64 and name HB+ ) 4.24 4.24 0.00 peak 948 assign ( resid 5 and name HA ) ( resid 64 and name HD+ ) 4.43 4.43 0.00 peak 943 assign ( resid 5 and name HB+ ) ( resid 8 and name HB+ ) 5.34 5.34 0.00 peak 930 assign ( resid 5 and name HB+ ) ( resid 8 and name HG+ ) 4.70 4.70 0.00 peak 3203 assign ( resid 5 and name HB+ ) ( resid 9 and name HD++ ) 4.11 4.11 0.00 peak 1677 assign ( resid 5 and name HB+ ) ( resid 64 and name HD+ ) 3.57 3.57 0.00 peak 931 assign ( resid 6 and name HN ) ( resid 6 and name HB+ ) 3.35 3.35 0.00 peak 1063 assign ( resid 6 and name HA ) ( resid 9 and name HB+ ) 4.83 4.83 0.00 peak 1591 assign ( resid 6 and name HA ) ( resid 9 and name HD++ ) 3.97 3.97 0.00 peak 1040 assign ( resid 6 and name HB+ ) ( resid 7 and name HN ) 3.34 3.34 0.00 peak 476 assign ( resid 7 and name HN ) ( resid 7 and name HB+ ) 3.04 3.04 0.00 peak 477 assign ( resid 7 and name HN ) ( resid 7 and name HG+ ) 3.96 3.96 0.00 peak 169 assign ( resid 7 and name HA ) ( resid 7 and name HD+ ) 4.32 4.32 0.00 peak 965 assign ( resid 7 and name HA ) ( resid 10 and name HB+ ) 4.24 4.24 0.00 peak 1637 assign ( resid 7 and name HB+ ) ( resid 7 and name HD+ ) 3.29 3.29 0.00 peak 3167 assign ( resid 7 and name HB+ ) ( resid 8 and name HN ) 3.59 3.59 0.00 peak 237 assign ( resid 7 and name HD+ ) ( resid 8 and name HN ) 5.34 5.34 0.00 peak 3160 assign ( resid 8 and name HN ) ( resid 8 and name HB+ ) 3.18 3.18 0.00 peak 236 assign ( resid 8 and name HN ) ( resid 8 and name HG+ ) 4.60 4.60 0.00 peak 239 assign ( resid 8 and name HA ) ( resid 8 and name HD+ ) 3.46 3.46 0.00 peak 951 assign ( resid 8 and name HA ) ( resid 11 and name HB+ ) 3.74 3.74 0.00 peak 1719 assign ( resid 8 and name HA ) ( resid 11 and name HG+ ) 3.87 3.87 0.00 peak 820 assign ( resid 8 and name HB+ ) ( resid 8 and name HD+ ) 3.26 3.26 0.00 peak 1351 assign ( resid 8 and name HB+ ) ( resid 9 and name HN ) 3.71 3.71 0.00 peak 255 assign ( resid 8 and name HG+ ) ( resid 64 and name HG+ ) 4.85 4.85 0.00 peak 3203 assign ( resid 8 and name HG+ ) ( resid 64 and name HD+ ) 4.78 4.78 0.00 peak 1111 assign ( resid 9 and name HN ) ( resid 9 and name HB+ ) 3.38 3.38 0.00 peak 1064 assign ( resid 9 and name HA ) ( resid 9 and name HD++ ) 3.22 3.22 0.00 peak 400 assign ( resid 9 and name HA ) ( resid 12 and name HB+ ) 4.87 4.87 0.00 peak 965 assign ( resid 9 and name HA ) ( resid 102 and name HG++ ) 5.44 5.44 0.00 peak 973 assign ( resid 9 and name HB+ ) ( resid 10 and name HN ) 3.96 3.96 0.00 peak 886 assign ( resid 9 and name HD++ ) ( resid 12 and name HB+ ) 4.33 4.33 0.00 peak 1695 assign ( resid 9 and name HD++ ) ( resid 33 and name HB ) 5.44 5.44 0.00 peak 1214 assign ( resid 9 and name HD++ ) ( resid 33 and name HG1+ ) 3.66 3.66 0.00 peak 1224 assign ( resid 9 and name HD++ ) ( resid 33 and name HD1+ ) 3.76 3.76 0.00 peak 3197 assign ( resid 9 and name HD++ ) ( resid 36 and name HD1 ) 5.44 5.44 0.00 peak 1700 assign ( resid 9 and name HD++ ) ( resid 36 and name HE3 ) 5.44 5.44 0.00 peak 1700 assign ( resid 9 and name HD++ ) ( resid 36 and name HE1 ) 3.89 3.89 0.00 peak 1704 assign ( resid 9 and name HD++ ) ( resid 36 and name HZ2 ) 3.97 3.97 0.00 peak 1702 assign ( resid 9 and name HD++ ) ( resid 36 and name HH2 ) 4.69 4.69 0.00 peak 1702 assign ( resid 9 and name HD++ ) ( resid 59 and name HA ) 5.20 5.20 0.00 peak 2273 assign ( resid 9 and name HD++ ) ( resid 59 and name HB+ ) 3.59 3.59 0.00 peak 1679 assign ( resid 9 and name HD++ ) ( resid 59 and name HE+ ) 4.29 4.29 0.00 peak 835 assign ( resid 9 and name HD++ ) ( resid 59 and name HZ ) 4.60 4.60 0.00 peak 1698 assign ( resid 9 and name HD++ ) ( resid 61 and name HA ) 5.44 5.44 0.00 peak 2273 assign ( resid 9 and name HD++ ) ( resid 61 and name HB+ ) 5.28 5.28 0.00 peak 1678 assign ( resid 9 and name HD++ ) ( resid 102 and name HB ) 5.44 5.44 0.00 peak 1692 assign ( resid 9 and name HD++ ) ( resid 102 and name HG++ ) 4.05 4.05 0.00 peak 870 assign ( resid 10 and name HB+ ) ( resid 11 and name HN ) 3.19 3.19 0.00 peak 117 assign ( resid 10 and name HB+ ) ( resid 33 and name HD1+ ) 5.09 5.09 0.00 peak 1200 assign ( resid 10 and name HG+ ) ( resid 33 and name HD1+ ) 3.42 3.42 0.00 peak 139 assign ( resid 11 and name HN ) ( resid 11 and name HB+ ) 3.29 3.29 0.00 peak 117 assign ( resid 11 and name HN ) ( resid 11 and name HG+ ) 3.43 3.43 0.00 peak 118 assign ( resid 11 and name HA ) ( resid 11 and name HG+ ) 3.48 3.48 0.00 peak 911 assign ( resid 11 and name HA ) ( resid 14 and name HG+ ) 4.85 4.85 0.00 peak 3241 assign ( resid 11 and name HA ) ( resid 14 and name HD+ ) 4.74 4.74 0.00 peak 1794 assign ( resid 11 and name HA ) ( resid 14 and name HE+ ) 4.74 4.74 0.00 peak 944 assign ( resid 11 and name HB+ ) ( resid 11 and name HD+ ) 3.29 3.29 0.00 peak 1630 assign ( resid 11 and name HB+ ) ( resid 12 and name HN ) 3.82 3.82 0.00 peak 181 assign ( resid 11 and name HB+ ) ( resid 12 and name HA ) 5.33 5.33 0.00 peak 909 assign ( resid 11 and name HG+ ) ( resid 12 and name HN ) 4.86 4.86 0.00 peak 182 assign ( resid 12 and name HN ) ( resid 12 and name HB+ ) 3.35 3.35 0.00 peak 179 assign ( resid 12 and name HA ) ( resid 15 and name HG+ ) 5.34 5.34 0.00 peak 909 assign ( resid 12 and name HB+ ) ( resid 13 and name HN ) 4.05 4.05 0.00 peak 855 assign ( resid 12 and name HB+ ) ( resid 102 and name HB ) 4.58 4.58 0.00 peak 1303 assign ( resid 12 and name HB+ ) ( resid 102 and name HG++ ) 3.63 3.63 0.00 peak 244 assign ( resid 13 and name HA ) ( resid 16 and name HB+ ) 3.84 3.84 0.00 peak 455 assign ( resid 13 and name HA ) ( resid 16 and name HD++ ) 3.96 3.96 0.00 peak 98 assign ( resid 13 and name HD+ ) ( resid 16 and name HB+ ) 4.21 4.21 0.00 peak 432 assign ( resid 13 and name HD+ ) ( resid 16 and name HD++ ) 5.17 5.17 0.00 peak 191 assign ( resid 13 and name HE+ ) ( resid 28 and name HD+ ) 4.81 4.81 0.00 peak 3347 assign ( resid 14 and name HN ) ( resid 14 and name HB+ ) 3.56 3.56 0.00 peak 283 assign ( resid 14 and name HN ) ( resid 14 and name HG+ ) 3.71 3.71 0.00 peak 285 assign ( resid 14 and name HN ) ( resid 14 and name HD+ ) 4.84 4.84 0.00 peak 284 assign ( resid 14 and name HA ) ( resid 14 and name HD+ ) 3.88 3.88 0.00 peak 1778 assign ( resid 14 and name HA ) ( resid 17 and name HG+ ) 4.48 4.48 0.00 peak 1826 assign ( resid 14 and name HB+ ) ( resid 14 and name HD+ ) 3.33 3.33 0.00 peak 1785 assign ( resid 14 and name HB+ ) ( resid 14 and name HE+ ) 4.95 4.95 0.00 peak 1789 assign ( resid 14 and name HG+ ) ( resid 15 and name HN ) 4.19 4.19 0.00 peak 175 assign ( resid 14 and name HG+ ) ( resid 15 and name HA ) 4.94 4.94 0.00 peak 2415 assign ( resid 15 and name HN ) ( resid 15 and name HB+ ) 2.65 2.65 0.00 peak 442 assign ( resid 15 and name HN ) ( resid 15 and name HG+ ) 4.51 4.51 0.00 peak 2213 assign ( resid 15 and name HA ) ( resid 15 and name HD+ ) 4.97 4.97 0.00 peak 965 assign ( resid 15 and name HA ) ( resid 18 and name HB+ ) 3.82 3.82 0.00 peak 1987 assign ( resid 15 and name HA ) ( resid 18 and name HG+ ) 3.43 3.43 0.00 peak 1433 assign ( resid 15 and name HB+ ) ( resid 16 and name HN ) 3.50 3.50 0.00 peak 341 assign ( resid 16 and name HN ) ( resid 16 and name HB+ ) 2.93 2.93 0.00 peak 342 assign ( resid 16 and name HN ) ( resid 16 and name HD++ ) 4.30 4.30 0.00 peak 564 assign ( resid 16 and name HN ) ( resid 18 and name HG+ ) 5.03 5.03 0.00 peak 340 assign ( resid 16 and name HA ) ( resid 16 and name HD++ ) 3.33 3.33 0.00 peak 91 assign ( resid 16 and name HA ) ( resid 21 and name HD+ ) 4.04 4.04 0.00 peak 308 assign ( resid 16 and name HA ) ( resid 102 and name HG++ ) 5.44 5.44 0.00 peak 1003 assign ( resid 16 and name HB+ ) ( resid 17 and name HN ) 3.33 3.33 0.00 peak 949 assign ( resid 16 and name HG ) ( resid 21 and name HD+ ) 3.78 3.78 0.00 peak 979 assign ( resid 16 and name HD++ ) ( resid 17 and name HN ) 4.22 4.22 0.00 peak 624 assign ( resid 16 and name HD++ ) ( resid 20 and name HA ) 3.40 3.40 0.00 peak 692 assign ( resid 16 and name HD++ ) ( resid 20 and name HB+ ) 3.77 3.77 0.00 peak 2466 assign ( resid 16 and name HD++ ) ( resid 20 and name HD+ ) 4.83 4.83 0.00 peak 1574 assign ( resid 16 and name HD++ ) ( resid 21 and name HD+ ) 3.34 3.34 0.00 peak 91 assign ( resid 16 and name HD++ ) ( resid 25 and name HA ) 4.38 4.38 0.00 peak 3137 assign ( resid 16 and name HD++ ) ( resid 26 and name HN ) 3.81 3.81 0.00 peak 763 assign ( resid 16 and name HD++ ) ( resid 26 and name HA1 ) 4.68 4.68 0.00 peak 3134 assign ( resid 16 and name HD++ ) ( resid 36 and name HE3 ) 4.61 4.61 0.00 peak 1881 assign ( resid 16 and name HD++ ) ( resid 102 and name HB ) 4.71 4.71 0.00 peak 2357 assign ( resid 16 and name HD++ ) ( resid 102 and name HG++ ) 3.21 3.21 0.00 peak 3169 assign ( resid 16 and name HD++ ) ( resid 103 and name HN ) 4.04 4.04 0.00 peak 910 assign ( resid 16 and name HD++ ) ( resid 103 and name HA ) 4.37 4.37 0.00 peak 1025 assign ( resid 17 and name HN ) ( resid 17 and name HB+ ) 2.88 2.88 0.00 peak 623 assign ( resid 17 and name HN ) ( resid 17 and name HG+ ) 3.42 3.42 0.00 peak 623 assign ( resid 17 and name HN ) ( resid 18 and name HG+ ) 4.30 4.30 0.00 peak 622 assign ( resid 17 and name HA ) ( resid 17 and name HG+ ) 3.74 3.74 0.00 peak 309 assign ( resid 17 and name HG+ ) ( resid 18 and name HN ) 4.33 4.33 0.00 peak 55 assign ( resid 18 and name HN ) ( resid 18 and name HB+ ) 3.50 3.50 0.00 peak 497 assign ( resid 18 and name HN ) ( resid 18 and name HG+ ) 3.33 3.33 0.00 peak 190 assign ( resid 18 and name HN ) ( resid 19 and name HB+ ) 5.34 5.34 0.00 peak 971 assign ( resid 18 and name HA ) ( resid 18 and name HG+ ) 3.67 3.67 0.00 peak 1416 assign ( resid 18 and name HA ) ( resid 20 and name HD+ ) 4.70 4.70 0.00 peak 1411 assign ( resid 18 and name HB+ ) ( resid 19 and name HN ) 3.66 3.66 0.00 peak 1225 assign ( resid 18 and name HB+ ) ( resid 19 and name HB+ ) 4.31 4.31 0.00 peak 1545 assign ( resid 18 and name HG+ ) ( resid 19 and name HN ) 4.05 4.05 0.00 peak 891 assign ( resid 19 and name HN ) ( resid 19 and name HB+ ) 3.25 3.25 0.00 peak 892 assign ( resid 19 and name HN ) ( resid 20 and name HD+ ) 3.48 3.48 0.00 peak 893 assign ( resid 19 and name HA ) ( resid 20 and name HG+ ) 4.31 4.31 0.00 peak 512 assign ( resid 19 and name HA ) ( resid 20 and name HD+ ) 2.80 2.80 0.00 peak 509 assign ( resid 20 and name HA ) ( resid 21 and name HG+ ) 4.93 4.93 0.00 peak 1293 assign ( resid 20 and name HA ) ( resid 21 and name HD+ ) 3.01 3.01 0.00 peak 987 assign ( resid 20 and name HB+ ) ( resid 21 and name HD+ ) 3.31 3.31 0.00 peak 981 assign ( resid 21 and name HA ) ( resid 24 and name HG++ ) 4.40 4.40 0.00 peak 611 assign ( resid 21 and name HA ) ( resid 103 and name HB+ ) 5.12 5.12 0.00 peak 2799 assign ( resid 21 and name HB+ ) ( resid 22 and name HN ) 3.38 3.38 0.00 peak 215 assign ( resid 21 and name HB+ ) ( resid 24 and name HG++ ) 3.38 3.38 0.00 peak 3152 assign ( resid 21 and name HB+ ) ( resid 103 and name HA ) 4.30 4.30 0.00 peak 1022 assign ( resid 21 and name HB+ ) ( resid 103 and name HB+ ) 4.00 4.00 0.00 peak 1379 assign ( resid 21 and name HB+ ) ( resid 107 and name HN ) 5.03 5.03 0.00 peak 927 assign ( resid 21 and name HB+ ) ( resid 107 and name HA ) 5.34 5.34 0.00 peak 2748 assign ( resid 21 and name HB+ ) ( resid 107 and name HG2+ ) 3.24 3.24 0.00 peak 1381 assign ( resid 21 and name HG+ ) ( resid 24 and name HG++ ) 3.22 3.22 0.00 peak 115 assign ( resid 21 and name HG+ ) ( resid 103 and name HA ) 3.90 3.90 0.00 peak 1372 assign ( resid 21 and name HG+ ) ( resid 107 and name HG2+ ) 3.83 3.83 0.00 peak 669 assign ( resid 21 and name HD+ ) ( resid 24 and name HG++ ) 4.31 4.31 0.00 peak 983 assign ( resid 21 and name HD+ ) ( resid 103 and name HB+ ) 3.90 3.90 0.00 peak 1059 assign ( resid 22 and name HN ) ( resid 22 and name HG++ ) 2.94 2.94 0.00 peak 1208 assign ( resid 22 and name HA ) ( resid 22 and name HG++ ) 3.12 3.12 0.00 peak 1205 assign ( resid 22 and name HG++ ) ( resid 23 and name HN ) 3.94 3.94 0.00 peak 1219 assign ( resid 22 and name HG++ ) ( resid 23 and name HA2 ) 4.53 4.53 0.00 peak 3045 assign ( resid 22 and name HG++ ) ( resid 23 and name HA1 ) 3.72 3.72 0.00 peak 1211 assign ( resid 23 and name HA2 ) ( resid 41 and name HB+ ) 4.44 4.44 0.00 peak 3046 assign ( resid 23 and name HA2 ) ( resid 110 and name HE2+ ) 4.02 4.02 0.00 peak 1159 assign ( resid 23 and name HA1 ) ( resid 41 and name HB+ ) 4.93 4.93 0.00 peak 3145 assign ( resid 23 and name HA1 ) ( resid 110 and name HE2+ ) 4.11 4.11 0.00 peak 1161 assign ( resid 24 and name HB ) ( resid 106 and name HD++ ) 4.19 4.19 0.00 peak 1210 assign ( resid 24 and name HB ) ( resid 110 and name HE2+ ) 5.25 5.25 0.00 peak 593 assign ( resid 24 and name HG++ ) ( resid 25 and name HA ) 3.97 3.97 0.00 peak 3140 assign ( resid 24 and name HG++ ) ( resid 40 and name HA ) 3.96 3.96 0.00 peak 3056 assign ( resid 24 and name HG++ ) ( resid 40 and name HG12 ) 3.64 3.64 0.00 peak 3143 assign ( resid 24 and name HG++ ) ( resid 103 and name HA ) 4.76 4.76 0.00 peak 1232 assign ( resid 24 and name HG++ ) ( resid 106 and name HA ) 5.18 5.18 0.00 peak 1232 assign ( resid 24 and name HG++ ) ( resid 106 and name HD++ ) 4.16 4.16 0.00 peak 2779 assign ( resid 24 and name HG++ ) ( resid 107 and name HN ) 4.00 4.00 0.00 peak 114 assign ( resid 24 and name HG++ ) ( resid 107 and name HA ) 3.66 3.66 0.00 peak 126 assign ( resid 24 and name HG++ ) ( resid 107 and name HB ) 4.53 4.53 0.00 peak 925 assign ( resid 24 and name HG++ ) ( resid 107 and name HG2+ ) 3.42 3.42 0.00 peak 1404 assign ( resid 24 and name HG++ ) ( resid 110 and name HN ) 4.62 4.62 0.00 peak 369 assign ( resid 24 and name HG++ ) ( resid 110 and name HA ) 5.11 5.11 0.00 peak 967 assign ( resid 24 and name HG++ ) ( resid 110 and name HG+ ) 4.43 4.43 0.00 peak 127 assign ( resid 24 and name HG++ ) ( resid 110 and name HE2+ ) 3.95 3.95 0.00 peak 600 assign ( resid 25 and name HN ) ( resid 25 and name HB+ ) 3.48 3.48 0.00 peak 199 assign ( resid 25 and name HN ) ( resid 39 and name HG++ ) 4.24 4.24 0.00 peak 597 assign ( resid 25 and name HN ) ( resid 106 and name HD++ ) 4.72 4.72 0.00 peak 1514 assign ( resid 25 and name HB+ ) ( resid 26 and name HN ) 3.51 3.51 0.00 peak 1036 assign ( resid 25 and name HB+ ) ( resid 39 and name HN ) 4.97 4.97 0.00 peak 225 assign ( resid 25 and name HB+ ) ( resid 39 and name HB ) 4.53 4.53 0.00 peak 1251 assign ( resid 25 and name HB+ ) ( resid 39 and name HG++ ) 3.95 3.95 0.00 peak 2097 assign ( resid 26 and name HN ) ( resid 106 and name HD++ ) 4.30 4.30 0.00 peak 764 assign ( resid 26 and name HA2 ) ( resid 39 and name HG++ ) 5.10 5.10 0.00 peak 1524 assign ( resid 26 and name HA1 ) ( resid 106 and name HD++ ) 4.12 4.12 0.00 peak 1133 assign ( resid 27 and name HN ) ( resid 39 and name HG++ ) 5.44 5.44 0.00 peak 1077 assign ( resid 27 and name HN ) ( resid 102 and name HG++ ) 5.44 5.44 0.00 peak 1077 assign ( resid 27 and name HN ) ( resid 106 and name HD++ ) 5.44 5.44 0.00 peak 1077 assign ( resid 27 and name HA ) ( resid 102 and name HG++ ) 5.44 5.44 0.00 peak 1003 assign ( resid 27 and name HB+ ) ( resid 28 and name HD+ ) 3.28 3.28 0.00 peak 1525 assign ( resid 28 and name HB+ ) ( resid 29 and name HN ) 3.91 3.91 0.00 peak 1079 assign ( resid 28 and name HB+ ) ( resid 33 and name HA ) 3.78 3.78 0.00 peak 3118 assign ( resid 28 and name HB+ ) ( resid 36 and name HA ) 4.89 4.89 0.00 peak 3096 assign ( resid 28 and name HB+ ) ( resid 36 and name HE1 ) 3.95 3.95 0.00 peak 784 assign ( resid 28 and name HB+ ) ( resid 37 and name HN ) 5.23 5.23 0.00 peak 426 assign ( resid 28 and name HD+ ) ( resid 29 and name HN ) 4.96 4.96 0.00 peak 883 assign ( resid 28 and name HD+ ) ( resid 37 and name HN ) 5.35 5.35 0.00 peak 1082 assign ( resid 29 and name HN ) ( resid 29 and name HB+ ) 3.30 3.30 0.00 peak 957 assign ( resid 29 and name HB+ ) ( resid 30 and name HN ) 4.42 4.42 0.00 peak 3024 assign ( resid 29 and name HB+ ) ( resid 31 and name HN ) 5.00 5.00 0.00 peak 2620 assign ( resid 29 and name HB+ ) ( resid 37 and name HB+ ) 4.06 4.06 0.00 peak 1518 assign ( resid 31 and name HB+ ) ( resid 35 and name HB+ ) 4.17 4.17 0.00 peak 1190 assign ( resid 33 and name HA ) ( resid 33 and name HG1+ ) 3.47 3.47 0.00 peak 13 assign ( resid 33 and name HG2+ ) ( resid 33 and name HG1+ ) 3.37 3.37 0.00 peak 2167 assign ( resid 33 and name HG2+ ) ( resid 34 and name HG+ ) 3.74 3.74 0.00 peak 1453 assign ( resid 33 and name HG1+ ) ( resid 36 and name HE1 ) 3.86 3.86 0.00 peak 783 assign ( resid 34 and name HN ) ( resid 34 and name HB+ ) 3.39 3.39 0.00 peak 648 assign ( resid 34 and name HN ) ( resid 34 and name HG+ ) 3.19 3.19 0.00 peak 647 assign ( resid 34 and name HB+ ) ( resid 35 and name HN ) 3.40 3.40 0.00 peak 769 assign ( resid 34 and name HB+ ) ( resid 59 and name HN ) 4.65 4.65 0.00 peak 1108 assign ( resid 34 and name HG+ ) ( resid 35 and name HN ) 4.79 4.79 0.00 peak 323 assign ( resid 35 and name HN ) ( resid 35 and name HB+ ) 3.34 3.34 0.00 peak 770 assign ( resid 35 and name HN ) ( resid 35 and name HG+ ) 4.53 4.53 0.00 peak 3103 assign ( resid 35 and name HA ) ( resid 35 and name HG+ ) 3.49 3.49 0.00 peak 863 assign ( resid 35 and name HA ) ( resid 35 and name HE2+ ) 4.25 4.25 0.00 peak 781 assign ( resid 35 and name HA ) ( resid 56 and name HG++ ) 4.16 4.16 0.00 peak 637 assign ( resid 35 and name HA ) ( resid 58 and name HG+ ) 4.85 4.85 0.00 peak 2966 assign ( resid 35 and name HB+ ) ( resid 35 and name HE2+ ) 3.81 3.81 0.00 peak 866 assign ( resid 35 and name HB+ ) ( resid 36 and name HN ) 4.10 4.10 0.00 peak 2209 assign ( resid 35 and name HG+ ) ( resid 36 and name HN ) 3.81 3.81 0.00 peak 874 assign ( resid 35 and name HG+ ) ( resid 56 and name HG++ ) 3.25 3.25 0.00 peak 3006 assign ( resid 35 and name HE2+ ) ( resid 56 and name HG++ ) 4.10 4.10 0.00 peak 1139 assign ( resid 36 and name HN ) ( resid 56 and name HG++ ) 4.56 4.56 0.00 peak 20 assign ( resid 36 and name HN ) ( resid 58 and name HB+ ) 5.34 5.34 0.00 peak 1011 assign ( resid 37 and name HN ) ( resid 37 and name HB+ ) 3.26 3.26 0.00 peak 425 assign ( resid 37 and name HN ) ( resid 56 and name HG++ ) 5.44 5.44 0.00 peak 1082 assign ( resid 37 and name HA ) ( resid 56 and name HG++ ) 4.31 4.31 0.00 peak 637 assign ( resid 37 and name HB+ ) ( resid 38 and name HN ) 3.97 3.97 0.00 peak 140 assign ( resid 38 and name HN ) ( resid 56 and name HG++ ) 4.65 4.65 0.00 peak 1086 assign ( resid 38 and name HA ) ( resid 39 and name HG++ ) 4.67 4.67 0.00 peak 821 assign ( resid 38 and name HA ) ( resid 106 and name HD++ ) 5.44 5.44 0.00 peak 822 assign ( resid 39 and name HN ) ( resid 39 and name HG++ ) 3.41 3.41 0.00 peak 229 assign ( resid 39 and name HN ) ( resid 106 and name HD++ ) 4.59 4.59 0.00 peak 230 assign ( resid 39 and name HA ) ( resid 39 and name HG++ ) 2.97 2.97 0.00 peak 634 assign ( resid 39 and name HA ) ( resid 54 and name HG+ ) 4.26 4.26 0.00 peak 212 assign ( resid 39 and name HG++ ) ( resid 40 and name HN ) 3.17 3.17 0.00 peak 627 assign ( resid 39 and name HG++ ) ( resid 40 and name HA ) 4.75 4.75 0.00 peak 3057 assign ( resid 39 and name HG++ ) ( resid 41 and name HA ) 4.98 4.98 0.00 peak 822 assign ( resid 39 and name HG++ ) ( resid 41 and name HB+ ) 5.28 5.28 0.00 peak 1138 assign ( resid 39 and name HG++ ) ( resid 41 and name HD+ ) 3.40 3.40 0.00 peak 630 assign ( resid 39 and name HG++ ) ( resid 41 and name HE+ ) 3.69 3.69 0.00 peak 631 assign ( resid 39 and name HG++ ) ( resid 41 and name HZ ) 3.69 3.69 0.00 peak 211 assign ( resid 39 and name HG++ ) ( resid 52 and name HA ) 5.44 5.44 0.00 peak 1382 assign ( resid 39 and name HG++ ) ( resid 52 and name HB ) 4.18 4.18 0.00 peak 632 assign ( resid 39 and name HG++ ) ( resid 53 and name HN ) 4.19 4.19 0.00 peak 111 assign ( resid 39 and name HG++ ) ( resid 54 and name HA ) 3.50 3.50 0.00 peak 634 assign ( resid 39 and name HG++ ) ( resid 54 and name HG+ ) 3.45 3.45 0.00 peak 884 assign ( resid 39 and name HG++ ) ( resid 54 and name HD+ ) 4.72 4.72 0.00 peak 1801 assign ( resid 39 and name HG++ ) ( resid 54 and name HE+ ) 4.05 4.05 0.00 peak 45 assign ( resid 39 and name HG++ ) ( resid 55 and name HN ) 4.84 4.84 0.00 peak 1104 assign ( resid 40 and name HN ) ( resid 53 and name HB+ ) 5.03 5.03 0.00 peak 186 assign ( resid 40 and name HA ) ( resid 106 and name HD++ ) 5.26 5.26 0.00 peak 3057 assign ( resid 40 and name HG2+ ) ( resid 41 and name HB+ ) 4.88 4.88 0.00 peak 1112 assign ( resid 40 and name HG2+ ) ( resid 110 and name HB+ ) 3.86 3.86 0.00 peak 1194 assign ( resid 40 and name HG2+ ) ( resid 110 and name HG+ ) 3.57 3.57 0.00 peak 565 assign ( resid 40 and name HG2+ ) ( resid 110 and name HE2+ ) 5.08 5.08 0.00 peak 1314 assign ( resid 40 and name HG2+ ) ( resid 113 and name HD++ ) 4.65 4.65 0.00 peak 3078 assign ( resid 40 and name HG12 ) ( resid 106 and name HD++ ) 3.83 3.83 0.00 peak 2787 assign ( resid 40 and name HG11 ) ( resid 106 and name HD++ ) 3.97 3.97 0.00 peak 2780 assign ( resid 40 and name HD1+ ) ( resid 55 and name HB+ ) 5.33 5.33 0.00 peak 3067 assign ( resid 40 and name HD1+ ) ( resid 110 and name HB+ ) 5.34 5.34 0.00 peak 3065 assign ( resid 40 and name HD1+ ) ( resid 110 and name HG+ ) 4.82 4.82 0.00 peak 3066 assign ( resid 40 and name HD1+ ) ( resid 113 and name HD++ ) 4.40 4.40 0.00 peak 3222 assign ( resid 42 and name HN ) ( resid 113 and name HD++ ) 5.37 5.37 0.00 peak 644 assign ( resid 42 and name HA+ ) ( resid 113 and name HD++ ) 3.65 3.65 0.00 peak 650 assign ( resid 42 and name HA1 ) ( resid 113 and name HD1+ ) 5.98 5.98 0.00 peak 650 assign ( resid 42 and name HA1 ) ( resid 113 and name HD2+ ) 5.98 5.98 0.00 peak 650 assign ( resid 43 and name HB+ ) ( resid 44 and name HN ) 3.62 3.62 0.00 peak 48 assign ( resid 43 and name HB+ ) ( resid 114 and name HN ) 4.73 4.73 0.00 peak 998 assign ( resid 43 and name HG+ ) ( resid 44 and name HN ) 4.69 4.69 0.00 peak 49 assign ( resid 43 and name HG+ ) ( resid 46 and name HG2+ ) 3.01 3.01 0.00 peak 1091 assign ( resid 43 and name HG+ ) ( resid 111 and name HA ) 4.88 4.88 0.00 peak 929 assign ( resid 43 and name HG+ ) ( resid 113 and name HG ) 4.39 4.39 0.00 peak 3358 assign ( resid 43 and name HG+ ) ( resid 113 and name HD++ ) 4.38 4.38 0.00 peak 2689 assign ( resid 43 and name HG+ ) ( resid 114 and name HN ) 4.29 4.29 0.00 peak 604 assign ( resid 43 and name HG+ ) ( resid 114 and name HA ) 3.91 3.91 0.00 peak 552 assign ( resid 43 and name HG+ ) ( resid 114 and name HB1 ) 5.19 5.19 0.00 peak 1187 assign ( resid 43 and name HD+ ) ( resid 44 and name HN ) 4.96 4.96 0.00 peak 1089 assign ( resid 43 and name HD+ ) ( resid 46 and name HG2+ ) 4.29 4.29 0.00 peak 3040 assign ( resid 43 and name HD+ ) ( resid 110 and name HG+ ) 5.16 5.16 0.00 peak 3039 assign ( resid 43 and name HD+ ) ( resid 113 and name HN ) 5.35 5.35 0.00 peak 902 assign ( resid 43 and name HD+ ) ( resid 113 and name HB+ ) 4.83 4.83 0.00 peak 2685 assign ( resid 43 and name HD+ ) ( resid 113 and name HG ) 4.36 4.36 0.00 peak 1391 assign ( resid 43 and name HD+ ) ( resid 113 and name HD++ ) 2.79 2.79 0.00 peak 642 assign ( resid 43 and name HD2 ) ( resid 113 and name HD2+ ) 4.67 4.67 0.00 peak 642 assign ( resid 43 and name HD+ ) ( resid 114 and name HA ) 4.44 4.44 0.00 peak 1069 assign ( resid 44 and name HN ) ( resid 44 and name HB+ ) 3.30 3.30 0.00 peak 50 assign ( resid 44 and name HN ) ( resid 44 and name HG+ ) 4.24 4.24 0.00 peak 2141 assign ( resid 44 and name HB+ ) ( resid 45 and name HN ) 4.19 4.19 0.00 peak 675 assign ( resid 44 and name HG+ ) ( resid 45 and name HN ) 3.79 3.79 0.00 peak 1216 assign ( resid 44 and name HG+ ) ( resid 45 and name HA+ ) 4.76 4.76 0.00 peak 3031 assign ( resid 44 and name HG+ ) ( resid 46 and name HN ) 5.34 5.34 0.00 peak 737 assign ( resid 45 and name HA+ ) ( resid 46 and name HA ) 4.47 4.47 0.00 peak 1373 assign ( resid 45 and name HA+ ) ( resid 46 and name HG2+ ) 5.34 5.34 0.00 peak 1031 assign ( resid 46 and name HN ) ( resid 49 and name HG+ ) 3.94 3.94 0.00 peak 738 assign ( resid 46 and name HG2+ ) ( resid 113 and name HD++ ) 5.42 5.42 0.00 peak 2751 assign ( resid 47 and name HA ) ( resid 141 and name HG++ ) 4.88 4.88 0.00 peak 922 assign ( resid 47 and name HB2 ) ( resid 141 and name HG++ ) 3.63 3.63 0.00 peak 1346 assign ( resid 47 and name HB2 ) ( resid 145 and name HG++ ) 5.44 5.44 0.00 peak 533 assign ( resid 47 and name HB1 ) ( resid 141 and name HG++ ) 4.34 4.34 0.00 peak 1343 assign ( resid 47 and name HG+ ) ( resid 48 and name HD+ ) 4.15 4.15 0.00 peak 1299 assign ( resid 47 and name HG+ ) ( resid 48 and name HE+ ) 4.00 4.00 0.00 peak 1740 assign ( resid 47 and name HG+ ) ( resid 141 and name HG++ ) 5.28 5.28 0.00 peak 1467 assign ( resid 48 and name HN ) ( resid 49 and name HG+ ) 5.04 5.04 0.00 peak 917 assign ( resid 48 and name HA ) ( resid 113 and name HD++ ) 5.44 5.44 0.00 peak 973 assign ( resid 48 and name HA ) ( resid 141 and name HG++ ) 4.18 4.18 0.00 peak 672 assign ( resid 48 and name HA ) ( resid 145 and name HG++ ) 3.67 3.67 0.00 peak 797 assign ( resid 48 and name HB2 ) ( resid 113 and name HB+ ) 5.34 5.34 0.00 peak 1174 assign ( resid 48 and name HB2 ) ( resid 113 and name HD++ ) 4.85 4.85 0.00 peak 1146 assign ( resid 48 and name HB1 ) ( resid 113 and name HD++ ) 4.65 4.65 0.00 peak 2695 assign ( resid 48 and name HB1 ) ( resid 141 and name HG++ ) 4.95 4.95 0.00 peak 1348 assign ( resid 48 and name HD+ ) ( resid 113 and name HD++ ) 3.96 3.96 0.00 peak 222 assign ( resid 48 and name HD+ ) ( resid 141 and name HG++ ) 4.12 4.12 0.00 peak 1349 assign ( resid 48 and name HD+ ) ( resid 145 and name HG++ ) 4.09 4.09 0.00 peak 805 assign ( resid 48 and name HE+ ) ( resid 141 and name HG++ ) 4.08 4.08 0.00 peak 356 assign ( resid 49 and name HN ) ( resid 49 and name HG+ ) 3.60 3.60 0.00 peak 122 assign ( resid 49 and name HA ) ( resid 49 and name HG+ ) 3.72 3.72 0.00 peak 707 assign ( resid 49 and name HG+ ) ( resid 50 and name HN ) 3.63 3.63 0.00 peak 503 assign ( resid 49 and name HG+ ) ( resid 50 and name HB+ ) 5.18 5.18 0.00 peak 2675 assign ( resid 50 and name HN ) ( resid 50 and name HB+ ) 3.70 3.70 0.00 peak 501 assign ( resid 50 and name HB+ ) ( resid 145 and name HG++ ) 4.30 4.30 0.00 peak 2227 assign ( resid 50 and name HB+ ) ( resid 149 and name HE1 ) 4.14 4.14 0.00 peak 797 assign ( resid 51 and name HN ) ( resid 145 and name HG++ ) 3.67 3.67 0.00 peak 1371 assign ( resid 51 and name HA+ ) ( resid 53 and name HE+ ) 4.54 4.54 0.00 peak 1143 assign ( resid 51 and name HA+ ) ( resid 145 and name HG++ ) 2.96 2.96 0.00 peak 1213 assign ( resid 51 and name HA+ ) ( resid 149 and name HD1 ) 4.03 4.03 0.00 peak 52 assign ( resid 51 and name HA+ ) ( resid 149 and name HE1 ) 3.69 3.69 0.00 peak 795 assign ( resid 52 and name HN ) ( resid 145 and name HG++ ) 4.57 4.57 0.00 peak 1369 assign ( resid 53 and name HB+ ) ( resid 72 and name HE+ ) 4.02 4.02 0.00 peak 643 assign ( resid 53 and name HB+ ) ( resid 113 and name HD++ ) 5.14 5.14 0.00 peak 1140 assign ( resid 53 and name HD+ ) ( resid 72 and name HB+ ) 4.83 4.83 0.00 peak 574 assign ( resid 53 and name HD+ ) ( resid 74 and name HB+ ) 3.97 3.97 0.00 peak 665 assign ( resid 53 and name HE+ ) ( resid 113 and name HD++ ) 4.47 4.47 0.00 peak 219 assign ( resid 53 and name HE+ ) ( resid 145 and name HG++ ) 3.65 3.65 0.00 peak 2605 assign ( resid 54 and name HN ) ( resid 54 and name HB+ ) 3.61 3.61 0.00 peak 170 assign ( resid 54 and name HN ) ( resid 54 and name HG+ ) 3.99 3.99 0.00 peak 172 assign ( resid 54 and name HA ) ( resid 54 and name HG+ ) 3.72 3.72 0.00 peak 423 assign ( resid 54 and name HA ) ( resid 54 and name HD+ ) 4.56 4.56 0.00 peak 1836 assign ( resid 54 and name HB+ ) ( resid 55 and name HN ) 3.79 3.79 0.00 peak 131 assign ( resid 54 and name HB+ ) ( resid 74 and name HN ) 4.34 4.34 0.00 peak 583 assign ( resid 54 and name HG+ ) ( resid 55 and name HN ) 4.56 4.56 0.00 peak 132 assign ( resid 55 and name HN ) ( resid 55 and name HB+ ) 3.50 3.50 0.00 peak 135 assign ( resid 55 and name HA ) ( resid 73 and name HD++ ) 4.45 4.45 0.00 peak 2058 assign ( resid 55 and name HB+ ) ( resid 56 and name HN ) 3.45 3.45 0.00 peak 253 assign ( resid 55 and name HB+ ) ( resid 70 and name HG++ ) 4.60 4.60 0.00 peak 1273 assign ( resid 55 and name HB+ ) ( resid 72 and name HN ) 5.02 5.02 0.00 peak 2018 assign ( resid 55 and name HB+ ) ( resid 72 and name HA ) 4.53 4.53 0.00 peak 3339 assign ( resid 55 and name HB+ ) ( resid 73 and name HN ) 4.40 4.40 0.00 peak 1049 assign ( resid 55 and name HB+ ) ( resid 87 and name HD1+ ) 4.45 4.45 0.00 peak 2868 assign ( resid 55 and name HG ) ( resid 70 and name HG++ ) 3.53 3.53 0.00 peak 254 assign ( resid 55 and name HG ) ( resid 106 and name HD++ ) 4.37 4.37 0.00 peak 847 assign ( resid 55 and name HG ) ( resid 109 and name HG1+ ) 5.34 5.34 0.00 peak 1281 assign ( resid 56 and name HN ) ( resid 56 and name HG++ ) 3.38 3.38 0.00 peak 359 assign ( resid 56 and name HN ) ( resid 70 and name HG++ ) 4.62 4.62 0.00 peak 1275 assign ( resid 56 and name HA ) ( resid 56 and name HG++ ) 3.13 3.13 0.00 peak 636 assign ( resid 56 and name HA ) ( resid 73 and name HD++ ) 4.87 4.87 0.00 peak 2058 assign ( resid 56 and name HB ) ( resid 73 and name HD++ ) 3.66 3.66 0.00 peak 2060 assign ( resid 56 and name HG++ ) ( resid 57 and name HN ) 3.59 3.59 0.00 peak 59 assign ( resid 56 and name HG++ ) ( resid 58 and name HN ) 4.81 4.81 0.00 peak 807 assign ( resid 56 and name HG++ ) ( resid 70 and name HA ) 4.55 4.55 0.00 peak 1215 assign ( resid 56 and name HG++ ) ( resid 71 and name HN ) 3.65 3.65 0.00 peak 122 assign ( resid 56 and name HG++ ) ( resid 71 and name HB+ ) 4.63 4.63 0.00 peak 2387 assign ( resid 56 and name HG++ ) ( resid 71 and name HG+ ) 3.57 3.57 0.00 peak 3012 assign ( resid 56 and name HG++ ) ( resid 71 and name HD+ ) 4.98 4.98 0.00 peak 1117 assign ( resid 56 and name HG++ ) ( resid 72 and name HA ) 5.06 5.06 0.00 peak 1215 assign ( resid 56 and name HG++ ) ( resid 73 and name HN ) 4.53 4.53 0.00 peak 3008 assign ( resid 56 and name HG++ ) ( resid 73 and name HG ) 3.57 3.57 0.00 peak 3011 assign ( resid 57 and name HN ) ( resid 57 and name HG1+ ) 4.24 4.24 0.00 peak 58 assign ( resid 57 and name HN ) ( resid 70 and name HG++ ) 5.44 5.44 0.00 peak 1274 assign ( resid 57 and name HG2+ ) ( resid 68 and name HB+ ) 3.96 3.96 0.00 peak 1277 assign ( resid 57 and name HG2+ ) ( resid 70 and name HG++ ) 3.37 3.37 0.00 peak 854 assign ( resid 57 and name HG2+ ) ( resid 102 and name HG++ ) 5.39 5.39 0.00 peak 852 assign ( resid 57 and name HG2+ ) ( resid 106 and name HD++ ) 5.44 5.44 0.00 peak 852 assign ( resid 57 and name HG1+ ) ( resid 70 and name HG++ ) 3.44 3.44 0.00 peak 1272 assign ( resid 57 and name HG12 ) ( resid 70 and name HG1+ ) 5.43 5.43 0.00 peak 1272 assign ( resid 57 and name HG1+ ) ( resid 71 and name HN ) 5.03 5.03 0.00 peak 2398 assign ( resid 57 and name HG1+ ) ( resid 105 and name HD1+ ) 4.78 4.78 0.00 peak 2177 assign ( resid 57 and name HD1+ ) ( resid 102 and name HG++ ) 4.14 4.14 0.00 peak 2995 assign ( resid 57 and name HD1+ ) ( resid 106 and name HD++ ) 3.88 3.88 0.00 peak 2996 assign ( resid 58 and name HN ) ( resid 58 and name HB+ ) 3.34 3.34 0.00 peak 779 assign ( resid 58 and name HN ) ( resid 58 and name HG+ ) 4.58 4.58 0.00 peak 496 assign ( resid 58 and name HN ) ( resid 68 and name HB+ ) 5.34 5.34 0.00 peak 807 assign ( resid 58 and name HN ) ( resid 70 and name HG++ ) 3.84 3.84 0.00 peak 808 assign ( resid 58 and name HA ) ( resid 58 and name HG+ ) 3.59 3.59 0.00 peak 49 assign ( resid 58 and name HB+ ) ( resid 59 and name HN ) 3.80 3.80 0.00 peak 86 assign ( resid 58 and name HB+ ) ( resid 59 and name HA ) 4.77 4.77 0.00 peak 1196 assign ( resid 58 and name HB+ ) ( resid 69 and name HN ) 4.66 4.66 0.00 peak 974 assign ( resid 58 and name HB+ ) ( resid 69 and name HA ) 5.32 5.32 0.00 peak 1196 assign ( resid 58 and name HB+ ) ( resid 69 and name HB ) 3.35 3.35 0.00 peak 1000 assign ( resid 58 and name HB+ ) ( resid 69 and name HG2+ ) 5.20 5.20 0.00 peak 2357 assign ( resid 58 and name HG+ ) ( resid 59 and name HN ) 4.57 4.57 0.00 peak 2967 assign ( resid 58 and name HG+ ) ( resid 69 and name HB ) 4.80 4.80 0.00 peak 1390 assign ( resid 58 and name HG+ ) ( resid 69 and name HG2+ ) 4.44 4.44 0.00 peak 2973 assign ( resid 59 and name HN ) ( resid 59 and name HB+ ) 3.57 3.57 0.00 peak 83 assign ( resid 59 and name HA ) ( resid 68 and name HB+ ) 4.42 4.42 0.00 peak 923 assign ( resid 59 and name HB+ ) ( resid 60 and name HN ) 3.46 3.46 0.00 peak 633 assign ( resid 59 and name HD+ ) ( resid 68 and name HB+ ) 4.43 4.43 0.00 peak 829 assign ( resid 59 and name HE+ ) ( resid 68 and name HB+ ) 4.47 4.47 0.00 peak 819 assign ( resid 59 and name HE+ ) ( resid 68 and name HG+ ) 5.35 5.35 0.00 peak 1318 assign ( resid 59 and name HE+ ) ( resid 102 and name HG++ ) 3.84 3.84 0.00 peak 2564 assign ( resid 59 and name HZ ) ( resid 102 and name HG++ ) 3.43 3.43 0.00 peak 215 assign ( resid 60 and name HN ) ( resid 68 and name HB+ ) 5.34 5.34 0.00 peak 1127 assign ( resid 60 and name HB+ ) ( resid 62 and name HN ) 4.52 4.52 0.00 peak 1177 assign ( resid 60 and name HB+ ) ( resid 62 and name HB2 ) 4.05 4.05 0.00 peak 2228 assign ( resid 60 and name HB+ ) ( resid 62 and name HG+ ) 4.74 4.74 0.00 peak 1043 assign ( resid 62 and name HA ) ( resid 62 and name HG+ ) 3.33 3.33 0.00 peak 724 assign ( resid 62 and name HA ) ( resid 66 and name HG+ ) 4.94 4.94 0.00 peak 2819 assign ( resid 62 and name HB2 ) ( resid 66 and name HB+ ) 5.01 5.01 0.00 peak 2235 assign ( resid 62 and name HB2 ) ( resid 66 and name HG+ ) 5.21 5.21 0.00 peak 2235 assign ( resid 62 and name HB1 ) ( resid 66 and name HB+ ) 4.23 4.23 0.00 peak 240 assign ( resid 62 and name HB1 ) ( resid 66 and name HG+ ) 4.32 4.32 0.00 peak 2229 assign ( resid 62 and name HG+ ) ( resid 66 and name HG+ ) 3.80 3.80 0.00 peak 186 assign ( resid 62 and name HG+ ) ( resid 66 and name HE+ ) 5.17 5.17 0.00 peak 1187 assign ( resid 63 and name HN ) ( resid 66 and name HB+ ) 4.46 4.46 0.00 peak 572 assign ( resid 63 and name HN ) ( resid 66 and name HG+ ) 5.06 5.06 0.00 peak 572 assign ( resid 63 and name HB2 ) ( resid 66 and name HB+ ) 5.34 5.34 0.00 peak 3214 assign ( resid 63 and name HB2 ) ( resid 66 and name HD+ ) 5.34 5.34 0.00 peak 3214 assign ( resid 63 and name HB1 ) ( resid 64 and name HB+ ) 5.34 5.34 0.00 peak 2649 assign ( resid 63 and name HB1 ) ( resid 64 and name HD+ ) 4.02 4.02 0.00 peak 181 assign ( resid 63 and name HB1 ) ( resid 66 and name HB+ ) 5.13 5.13 0.00 peak 1915 assign ( resid 64 and name HG+ ) ( resid 65 and name HN ) 4.07 4.07 0.00 peak 77 assign ( resid 64 and name HD+ ) ( resid 65 and name HN ) 4.07 4.07 0.00 peak 74 assign ( resid 64 and name HD+ ) ( resid 66 and name HN ) 4.96 4.96 0.00 peak 887 assign ( resid 65 and name HA ) ( resid 98 and name HB+ ) 4.21 4.21 0.00 peak 2085 assign ( resid 65 and name HB+ ) ( resid 66 and name HN ) 4.23 4.23 0.00 peak 2079 assign ( resid 65 and name HB+ ) ( resid 96 and name HE1 ) 4.43 4.43 0.00 peak 791 assign ( resid 65 and name HB+ ) ( resid 98 and name HA ) 5.18 5.18 0.00 peak 897 assign ( resid 66 and name HN ) ( resid 66 and name HB+ ) 3.17 3.17 0.00 peak 452 assign ( resid 66 and name HN ) ( resid 66 and name HG+ ) 4.40 4.40 0.00 peak 829 assign ( resid 66 and name HN ) ( resid 67 and name HD+ ) 5.35 5.35 0.00 peak 887 assign ( resid 66 and name HB+ ) ( resid 66 and name HE+ ) 4.36 4.36 0.00 peak 1389 assign ( resid 66 and name HB+ ) ( resid 67 and name HD+ ) 3.49 3.49 0.00 peak 1080 assign ( resid 66 and name HG+ ) ( resid 66 and name HE+ ) 3.32 3.32 0.00 peak 1406 assign ( resid 66 and name HG+ ) ( resid 67 and name HD+ ) 3.77 3.77 0.00 peak 1498 assign ( resid 66 and name HD+ ) ( resid 67 and name HD+ ) 3.72 3.72 0.00 peak 1381 assign ( resid 67 and name HB+ ) ( resid 92 and name HA ) 5.34 5.34 0.00 peak 1838 assign ( resid 68 and name HB+ ) ( resid 69 and name HN ) 3.35 3.35 0.00 peak 706 assign ( resid 68 and name HB+ ) ( resid 69 and name HA ) 5.21 5.21 0.00 peak 923 assign ( resid 68 and name HG+ ) ( resid 69 and name HN ) 4.43 4.43 0.00 peak 705 assign ( resid 68 and name HD2 ) ( resid 92 and name HD++ ) 4.67 4.67 0.00 peak 1171 assign ( resid 69 and name HA ) ( resid 70 and name HG++ ) 4.14 4.14 0.00 peak 973 assign ( resid 70 and name HN ) ( resid 70 and name HG++ ) 3.48 3.48 0.00 peak 97 assign ( resid 70 and name HB ) ( resid 92 and name HD++ ) 5.44 5.44 0.00 peak 2388 assign ( resid 70 and name HG++ ) ( resid 71 and name HN ) 3.27 3.27 0.00 peak 826 assign ( resid 70 and name HG++ ) ( resid 71 and name HA ) 4.45 4.45 0.00 peak 1270 assign ( resid 70 and name HG++ ) ( resid 72 and name HN ) 4.87 4.87 0.00 peak 1276 assign ( resid 70 and name HG++ ) ( resid 72 and name HD+ ) 4.81 4.81 0.00 peak 538 assign ( resid 70 and name HG++ ) ( resid 72 and name HE+ ) 4.48 4.48 0.00 peak 1333 assign ( resid 70 and name HG++ ) ( resid 87 and name HN ) 4.41 4.41 0.00 peak 1041 assign ( resid 70 and name HG++ ) ( resid 87 and name HB ) 5.06 5.06 0.00 peak 2841 assign ( resid 70 and name HG++ ) ( resid 87 and name HG11 ) 4.69 4.69 0.00 peak 2406 assign ( resid 70 and name HG++ ) ( resid 105 and name HD1+ ) 3.28 3.28 0.00 peak 2187 assign ( resid 71 and name HN ) ( resid 71 and name HB+ ) 3.65 3.65 0.00 peak 822 assign ( resid 71 and name HN ) ( resid 71 and name HG+ ) 3.89 3.89 0.00 peak 822 assign ( resid 71 and name HB+ ) ( resid 72 and name HN ) 3.76 3.76 0.00 peak 207 assign ( resid 71 and name HB+ ) ( resid 85 and name HA+ ) 3.92 3.92 0.00 peak 1049 assign ( resid 71 and name HB+ ) ( resid 86 and name HN ) 4.70 4.70 0.00 peak 1219 assign ( resid 71 and name HB+ ) ( resid 86 and name HA ) 3.97 3.97 0.00 peak 2400 assign ( resid 71 and name HG+ ) ( resid 72 and name HN ) 5.24 5.24 0.00 peak 472 assign ( resid 71 and name HD+ ) ( resid 85 and name HA+ ) 4.76 4.76 0.00 peak 778 assign ( resid 72 and name HN ) ( resid 72 and name HB+ ) 3.54 3.54 0.00 peak 205 assign ( resid 72 and name HN ) ( resid 85 and name HA+ ) 4.72 4.72 0.00 peak 776 assign ( resid 72 and name HB+ ) ( resid 73 and name HN ) 3.88 3.88 0.00 peak 573 assign ( resid 72 and name HB+ ) ( resid 74 and name HN ) 3.99 3.99 0.00 peak 582 assign ( resid 72 and name HB+ ) ( resid 74 and name HB+ ) 4.42 4.42 0.00 peak 1119 assign ( resid 72 and name HB+ ) ( resid 87 and name HD1+ ) 5.32 5.32 0.00 peak 2872 assign ( resid 72 and name HE+ ) ( resid 81 and name HG++ ) 5.44 5.44 0.00 peak 602 assign ( resid 72 and name HE+ ) ( resid 113 and name HD++ ) 4.96 4.96 0.00 peak 535 assign ( resid 72 and name HZ ) ( resid 113 and name HD++ ) 4.19 4.19 0.00 peak 646 assign ( resid 73 and name HN ) ( resid 73 and name HD++ ) 4.79 4.79 0.00 peak 70 assign ( resid 73 and name HA ) ( resid 73 and name HD++ ) 2.84 2.84 0.00 peak 37 assign ( resid 73 and name HD++ ) ( resid 74 and name HN ) 4.83 4.83 0.00 peak 586 assign ( resid 74 and name HN ) ( resid 74 and name HB+ ) 3.61 3.61 0.00 peak 579 assign ( resid 75 and name HN ) ( resid 75 and name HB+ ) 3.45 3.45 0.00 peak 41 assign ( resid 75 and name HN ) ( resid 75 and name HG+ ) 4.16 4.16 0.00 peak 42 assign ( resid 75 and name HA ) ( resid 75 and name HE+ ) 3.80 3.80 0.00 peak 1951 assign ( resid 75 and name HB+ ) ( resid 76 and name HN ) 4.30 4.30 0.00 peak 503 assign ( resid 76 and name HN ) ( resid 76 and name HB+ ) 3.52 3.52 0.00 peak 267 assign ( resid 76 and name HN ) ( resid 76 and name HG+ ) 4.08 4.08 0.00 peak 501 assign ( resid 76 and name HB+ ) ( resid 77 and name HN ) 4.04 4.04 0.00 peak 1210 assign ( resid 76 and name HB+ ) ( resid 78 and name HN ) 5.34 5.34 0.00 peak 1059 assign ( resid 76 and name HB+ ) ( resid 144 and name HG2+ ) 4.48 4.48 0.00 peak 495 assign ( resid 76 and name HB+ ) ( resid 144 and name HD1+ ) 3.29 3.29 0.00 peak 1164 assign ( resid 76 and name HG+ ) ( resid 77 and name HN ) 4.97 4.97 0.00 peak 820 assign ( resid 76 and name HG+ ) ( resid 144 and name HG2+ ) 5.34 5.34 0.00 peak 533 assign ( resid 77 and name HN ) ( resid 144 and name HG1+ ) 4.65 4.65 0.00 peak 590 assign ( resid 77 and name HB+ ) ( resid 78 and name HN ) 4.06 4.06 0.00 peak 829 assign ( resid 77 and name HB+ ) ( resid 144 and name HG2+ ) 4.29 4.29 0.00 peak 1485 assign ( resid 77 and name HB+ ) ( resid 144 and name HD1+ ) 4.03 4.03 0.00 peak 2590 assign ( resid 77 and name HD+ ) ( resid 140 and name HB+ ) 4.42 4.42 0.00 peak 586 assign ( resid 77 and name HD+ ) ( resid 140 and name HD+ ) 4.32 4.32 0.00 peak 2552 assign ( resid 78 and name HN ) ( resid 78 and name HB+ ) 3.64 3.64 0.00 peak 154 assign ( resid 78 and name HN ) ( resid 81 and name HG++ ) 4.15 4.15 0.00 peak 1061 assign ( resid 78 and name HB+ ) ( resid 81 and name HN ) 5.27 5.27 0.00 peak 964 assign ( resid 78 and name HB+ ) ( resid 81 and name HB ) 4.62 4.62 0.00 peak 2153 assign ( resid 78 and name HB+ ) ( resid 81 and name HG++ ) 3.79 3.79 0.00 peak 624 assign ( resid 79 and name HB+ ) ( resid 80 and name HB+ ) 5.10 5.10 0.00 peak 2102 assign ( resid 79 and name HB+ ) ( resid 126 and name HB+ ) 4.57 4.57 0.00 peak 2145 assign ( resid 79 and name HB+ ) ( resid 127 and name HA ) 3.92 3.92 0.00 peak 1367 assign ( resid 80 and name HA ) ( resid 88 and name HB+ ) 5.34 5.34 0.00 peak 1242 assign ( resid 80 and name HB+ ) ( resid 112 and name HD++ ) 4.20 4.20 0.00 peak 1970 assign ( resid 80 and name HB+ ) ( resid 122 and name HB+ ) 3.38 3.38 0.00 peak 132 assign ( resid 80 and name HB+ ) ( resid 123 and name HN ) 5.21 5.21 0.00 peak 2110 assign ( resid 81 and name HN ) ( resid 81 and name HG++ ) 3.32 3.32 0.00 peak 852 assign ( resid 81 and name HA ) ( resid 81 and name HG++ ) 3.11 3.11 0.00 peak 1285 assign ( resid 81 and name HG++ ) ( resid 82 and name HN ) 3.38 3.38 0.00 peak 120 assign ( resid 81 and name HG++ ) ( resid 82 and name HA ) 4.06 4.06 0.00 peak 633 assign ( resid 81 and name HG++ ) ( resid 85 and name HN ) 3.73 3.73 0.00 peak 1290 assign ( resid 81 and name HG++ ) ( resid 85 and name HA+ ) 3.36 3.36 0.00 peak 1286 assign ( resid 81 and name HG++ ) ( resid 86 and name HN ) 4.67 4.67 0.00 peak 511 assign ( resid 81 and name HG++ ) ( resid 86 and name HB+ ) 5.10 5.10 0.00 peak 972 assign ( resid 81 and name HG++ ) ( resid 87 and name HA ) 4.16 4.16 0.00 peak 3243 assign ( resid 81 and name HG++ ) ( resid 87 and name HG2+ ) 4.78 4.78 0.00 peak 2857 assign ( resid 81 and name HG++ ) ( resid 87 and name HD1+ ) 5.04 5.04 0.00 peak 2868 assign ( resid 81 and name HG++ ) ( resid 122 and name HB+ ) 5.22 5.22 0.00 peak 839 assign ( resid 81 and name HG++ ) ( resid 123 and name HB2 ) 5.44 5.44 0.00 peak 1255 assign ( resid 82 and name HN ) ( resid 82 and name HB+ ) 3.61 3.61 0.00 peak 47 assign ( resid 82 and name HN ) ( resid 86 and name HB+ ) 5.26 5.26 0.00 peak 2621 assign ( resid 82 and name HB+ ) ( resid 83 and name HB+ ) 4.64 4.64 0.00 peak 2420 assign ( resid 82 and name HB+ ) ( resid 85 and name HN ) 4.80 4.80 0.00 peak 1043 assign ( resid 82 and name HB+ ) ( resid 85 and name HA+ ) 5.18 5.18 0.00 peak 778 assign ( resid 82 and name HB+ ) ( resid 86 and name HN ) 3.80 3.80 0.00 peak 419 assign ( resid 82 and name HB+ ) ( resid 86 and name HB+ ) 4.55 4.55 0.00 peak 753 assign ( resid 82 and name HD+ ) ( resid 86 and name HB+ ) 3.57 3.57 0.00 peak 28 assign ( resid 82 and name HE+ ) ( resid 88 and name HB+ ) 3.75 3.75 0.00 peak 104 assign ( resid 83 and name HB+ ) ( resid 84 and name HB+ ) 5.23 5.23 0.00 peak 2420 assign ( resid 84 and name HB+ ) ( resid 85 and name HA+ ) 5.18 5.18 0.00 peak 778 assign ( resid 84 and name HB+ ) ( resid 86 and name HN ) 4.47 4.47 0.00 peak 419 assign ( resid 86 and name HN ) ( resid 86 and name HB+ ) 3.51 3.51 0.00 peak 416 assign ( resid 87 and name HA ) ( resid 112 and name HD++ ) 5.44 5.44 0.00 peak 1838 assign ( resid 87 and name HG2+ ) ( resid 89 and name HB+ ) 4.45 4.45 0.00 peak 716 assign ( resid 87 and name HG2+ ) ( resid 109 and name HG1+ ) 4.21 4.21 0.00 peak 2854 assign ( resid 87 and name HG2+ ) ( resid 112 and name HD++ ) 4.27 4.27 0.00 peak 2853 assign ( resid 87 and name HD1+ ) ( resid 109 and name HG1+ ) 5.34 5.34 0.00 peak 1214 assign ( resid 88 and name HB+ ) ( resid 89 and name HN ) 4.19 4.19 0.00 peak 1035 assign ( resid 88 and name HB+ ) ( resid 122 and name HB+ ) 3.57 3.57 0.00 peak 763 assign ( resid 89 and name HN ) ( resid 89 and name HB+ ) 3.57 3.57 0.00 peak 13 assign ( resid 89 and name HN ) ( resid 92 and name HD++ ) 4.57 4.57 0.00 peak 801 assign ( resid 89 and name HA ) ( resid 89 and name HD++ ) 3.71 3.71 0.00 peak 861 assign ( resid 89 and name HB+ ) ( resid 89 and name HG ) 2.54 2.54 0.00 peak 718 assign ( resid 89 and name HB+ ) ( resid 89 and name HD++ ) 2.82 2.82 0.00 peak 2890 assign ( resid 89 and name HB+ ) ( resid 91 and name HN ) 4.40 4.40 0.00 peak 576 assign ( resid 89 and name HB+ ) ( resid 91 and name HG2+ ) 4.64 4.64 0.00 peak 717 assign ( resid 89 and name HB+ ) ( resid 92 and name HN ) 3.36 3.36 0.00 peak 640 assign ( resid 89 and name HB+ ) ( resid 92 and name HD++ ) 4.71 4.71 0.00 peak 715 assign ( resid 89 and name HB+ ) ( resid 108 and name HB+ ) 5.18 5.18 0.00 peak 1055 assign ( resid 89 and name HG ) ( resid 108 and name HB+ ) 3.10 3.10 0.00 peak 103 assign ( resid 89 and name HG ) ( resid 109 and name HG1+ ) 4.06 4.06 0.00 peak 2887 assign ( resid 89 and name HD++ ) ( resid 91 and name HG1+ ) 4.32 4.32 0.00 peak 2892 assign ( resid 89 and name HD++ ) ( resid 92 and name HN ) 4.53 4.53 0.00 peak 2895 assign ( resid 89 and name HD++ ) ( resid 108 and name HN ) 5.44 5.44 0.00 peak 318 assign ( resid 89 and name HD++ ) ( resid 108 and name HA ) 4.46 4.46 0.00 peak 2894 assign ( resid 89 and name HD++ ) ( resid 108 and name HB+ ) 3.84 3.84 0.00 peak 2461 assign ( resid 89 and name HD++ ) ( resid 109 and name HG1+ ) 4.74 4.74 0.00 peak 2893 assign ( resid 90 and name HA ) ( resid 93 and name HB+ ) 4.21 4.21 0.00 peak 921 assign ( resid 90 and name HB+ ) ( resid 93 and name HN ) 5.34 5.34 0.00 peak 386 assign ( resid 90 and name HB+ ) ( resid 95 and name HB+ ) 5.18 5.18 0.00 peak 2093 assign ( resid 91 and name HA ) ( resid 93 and name HB+ ) 5.10 5.10 0.00 peak 1189 assign ( resid 91 and name HA ) ( resid 95 and name HB+ ) 4.67 4.67 0.00 peak 2897 assign ( resid 91 and name HA ) ( resid 96 and name HB+ ) 5.17 5.17 0.00 peak 1236 assign ( resid 91 and name HG2+ ) ( resid 95 and name HB+ ) 5.34 5.34 0.00 peak 2316 assign ( resid 91 and name HG2+ ) ( resid 96 and name HB+ ) 4.46 4.46 0.00 peak 1159 assign ( resid 91 and name HG2+ ) ( resid 108 and name HB+ ) 4.05 4.05 0.00 peak 1424 assign ( resid 91 and name HG1+ ) ( resid 92 and name HN ) 4.40 4.40 0.00 peak 1028 assign ( resid 91 and name HG1+ ) ( resid 96 and name HA ) 4.49 4.49 0.00 peak 1767 assign ( resid 91 and name HD1+ ) ( resid 96 and name HB+ ) 5.21 5.21 0.00 peak 2906 assign ( resid 91 and name HD1+ ) ( resid 100 and name HB+ ) 5.17 5.17 0.00 peak 2905 assign ( resid 91 and name HD1+ ) ( resid 104 and name HB+ ) 4.13 4.13 0.00 peak 1105 assign ( resid 91 and name HD1+ ) ( resid 108 and name HB+ ) 3.89 3.89 0.00 peak 1105 assign ( resid 92 and name HN ) ( resid 92 and name HB+ ) 3.32 3.32 0.00 peak 638 assign ( resid 92 and name HN ) ( resid 92 and name HD++ ) 3.73 3.73 0.00 peak 2934 assign ( resid 92 and name HN ) ( resid 93 and name HE2+ ) 4.86 4.86 0.00 peak 637 assign ( resid 92 and name HA ) ( resid 92 and name HD++ ) 3.26 3.26 0.00 peak 1234 assign ( resid 92 and name HB+ ) ( resid 93 and name HN ) 3.90 3.90 0.00 peak 383 assign ( resid 92 and name HB+ ) ( resid 93 and name HA ) 5.34 5.34 0.00 peak 909 assign ( resid 92 and name HD++ ) ( resid 93 and name HN ) 4.82 4.82 0.00 peak 385 assign ( resid 93 and name HN ) ( resid 93 and name HB+ ) 3.31 3.31 0.00 peak 382 assign ( resid 93 and name HN ) ( resid 93 and name HG+ ) 3.86 3.86 0.00 peak 1428 assign ( resid 93 and name HN ) ( resid 93 and name HE2+ ) 4.78 4.78 0.00 peak 710 assign ( resid 93 and name HA ) ( resid 93 and name HG+ ) 3.39 3.39 0.00 peak 2939 assign ( resid 94 and name HA ) ( resid 96 and name HB+ ) 4.69 4.69 0.00 peak 1069 assign ( resid 94 and name HB+ ) ( resid 95 and name HN ) 4.43 4.43 0.00 peak 86 assign ( resid 95 and name HN ) ( resid 95 and name HB+ ) 3.63 3.63 0.00 peak 1225 assign ( resid 95 and name HN ) ( resid 95 and name HG+ ) 4.48 4.48 0.00 peak 890 assign ( resid 95 and name HA ) ( resid 95 and name HG+ ) 3.45 3.45 0.00 peak 2315 assign ( resid 95 and name HA ) ( resid 95 and name HD+ ) 4.17 4.17 0.00 peak 1624 assign ( resid 95 and name HB+ ) ( resid 95 and name HD+ ) 3.30 3.30 0.00 peak 42 assign ( resid 95 and name HB+ ) ( resid 96 and name HN ) 4.28 4.28 0.00 peak 213 assign ( resid 96 and name HB+ ) ( resid 97 and name HN ) 4.42 4.42 0.00 peak 1193 assign ( resid 96 and name HE3 ) ( resid 97 and name HB+ ) 5.18 5.18 0.00 peak 380 assign ( resid 96 and name HE3 ) ( resid 100 and name HB+ ) 4.23 4.23 0.00 peak 622 assign ( resid 96 and name HE1 ) ( resid 98 and name HB+ ) 5.34 5.34 0.00 peak 792 assign ( resid 99 and name HN ) ( resid 100 and name HB+ ) 4.67 4.67 0.00 peak 621 assign ( resid 100 and name HA ) ( resid 104 and name HB+ ) 5.34 5.34 0.00 peak 2799 assign ( resid 100 and name HB+ ) ( resid 101 and name HN ) 3.72 3.72 0.00 peak 560 assign ( resid 101 and name HN ) ( resid 101 and name HB+ ) 3.51 3.51 0.00 peak 559 assign ( resid 101 and name HN ) ( resid 104 and name HB+ ) 3.42 3.42 0.00 peak 556 assign ( resid 101 and name HB+ ) ( resid 102 and name HN ) 3.38 3.38 0.00 peak 487 assign ( resid 101 and name HB+ ) ( resid 102 and name HB ) 4.91 4.91 0.00 peak 1303 assign ( resid 101 and name HB+ ) ( resid 102 and name HG++ ) 4.15 4.15 0.00 peak 244 assign ( resid 101 and name HB+ ) ( resid 103 and name HN ) 4.24 4.24 0.00 peak 1170 assign ( resid 102 and name HN ) ( resid 102 and name HG++ ) 3.24 3.24 0.00 peak 1339 assign ( resid 102 and name HG++ ) ( resid 103 and name HN ) 3.57 3.57 0.00 peak 909 assign ( resid 102 and name HG++ ) ( resid 103 and name HB+ ) 5.28 5.28 0.00 peak 988 assign ( resid 102 and name HG++ ) ( resid 104 and name HN ) 5.44 5.44 0.00 peak 1314 assign ( resid 102 and name HG++ ) ( resid 105 and name HN ) 5.44 5.44 0.00 peak 1314 assign ( resid 102 and name HG++ ) ( resid 106 and name HN ) 5.44 5.44 0.00 peak 1314 assign ( resid 103 and name HN ) ( resid 103 and name HB+ ) 3.23 3.23 0.00 peak 8 assign ( resid 103 and name HA ) ( resid 106 and name HD++ ) 4.08 4.08 0.00 peak 1027 assign ( resid 103 and name HB+ ) ( resid 106 and name HD++ ) 5.28 5.28 0.00 peak 988 assign ( resid 103 and name HB+ ) ( resid 107 and name HG2+ ) 5.34 5.34 0.00 peak 1031 assign ( resid 104 and name HN ) ( resid 104 and name HB+ ) 3.20 3.20 0.00 peak 944 assign ( resid 104 and name HB+ ) ( resid 105 and name HN ) 3.62 3.62 0.00 peak 90 assign ( resid 105 and name HA ) ( resid 105 and name HG1+ ) 3.54 3.54 0.00 peak 480 assign ( resid 105 and name HG2+ ) ( resid 106 and name HD++ ) 4.73 4.73 0.00 peak 2779 assign ( resid 105 and name HG1+ ) ( resid 106 and name HN ) 5.29 5.29 0.00 peak 480 assign ( resid 105 and name HD1+ ) ( resid 108 and name HB+ ) 4.53 4.53 0.00 peak 1012 assign ( resid 105 and name HD1+ ) ( resid 109 and name HG1+ ) 3.90 3.90 0.00 peak 2176 assign ( resid 106 and name HN ) ( resid 106 and name HD++ ) 3.64 3.64 0.00 peak 207 assign ( resid 106 and name HA ) ( resid 106 and name HD++ ) 3.13 3.13 0.00 peak 2777 assign ( resid 106 and name HD++ ) ( resid 107 and name HN ) 4.32 4.32 0.00 peak 1004 assign ( resid 106 and name HD++ ) ( resid 107 and name HG2+ ) 5.22 5.22 0.00 peak 2751 assign ( resid 106 and name HD++ ) ( resid 109 and name HN ) 5.44 5.44 0.00 peak 2788 assign ( resid 107 and name HA ) ( resid 110 and name HB+ ) 3.36 3.36 0.00 peak 413 assign ( resid 107 and name HA ) ( resid 110 and name HG+ ) 5.34 5.34 0.00 peak 2748 assign ( resid 107 and name HA ) ( resid 110 and name HE2+ ) 5.34 5.34 0.00 peak 685 assign ( resid 108 and name HN ) ( resid 108 and name HB+ ) 3.39 3.39 0.00 peak 314 assign ( resid 108 and name HN ) ( resid 109 and name HG1+ ) 4.52 4.52 0.00 peak 316 assign ( resid 108 and name HN ) ( resid 110 and name HB+ ) 5.34 5.34 0.00 peak 1003 assign ( resid 108 and name HB+ ) ( resid 109 and name HD1+ ) 5.27 5.27 0.00 peak 982 assign ( resid 109 and name HN ) ( resid 109 and name HG1+ ) 3.37 3.37 0.00 peak 147 assign ( resid 109 and name HA ) ( resid 112 and name HB+ ) 3.74 3.74 0.00 peak 1064 assign ( resid 109 and name HA ) ( resid 112 and name HD++ ) 3.96 3.96 0.00 peak 1839 assign ( resid 109 and name HG2+ ) ( resid 112 and name HB+ ) 4.33 4.33 0.00 peak 1666 assign ( resid 109 and name HG2+ ) ( resid 112 and name HD++ ) 4.72 4.72 0.00 peak 2720 assign ( resid 109 and name HG2+ ) ( resid 113 and name HD++ ) 4.18 4.18 0.00 peak 784 assign ( resid 110 and name HN ) ( resid 110 and name HG+ ) 4.17 4.17 0.00 peak 1147 assign ( resid 110 and name HA ) ( resid 110 and name HG+ ) 3.48 3.48 0.00 peak 970 assign ( resid 110 and name HA ) ( resid 113 and name HD++ ) 3.68 3.68 0.00 peak 649 assign ( resid 110 and name HB+ ) ( resid 110 and name HE2+ ) 4.04 4.04 0.00 peak 697 assign ( resid 110 and name HB+ ) ( resid 111 and name HN ) 3.29 3.29 0.00 peak 653 assign ( resid 110 and name HG+ ) ( resid 113 and name HD++ ) 5.18 5.18 0.00 peak 1196 assign ( resid 111 and name HN ) ( resid 111 and name HB+ ) 2.96 2.96 0.00 peak 1217 assign ( resid 111 and name HB+ ) ( resid 112 and name HN ) 3.80 3.80 0.00 peak 1061 assign ( resid 111 and name HB+ ) ( resid 113 and name HN ) 5.34 5.34 0.00 peak 902 assign ( resid 112 and name HN ) ( resid 112 and name HB+ ) 2.86 2.86 0.00 peak 163 assign ( resid 112 and name HN ) ( resid 112 and name HD++ ) 4.17 4.17 0.00 peak 165 assign ( resid 112 and name HN ) ( resid 113 and name HD++ ) 3.92 3.92 0.00 peak 648 assign ( resid 112 and name HA ) ( resid 112 and name HD++ ) 3.44 3.44 0.00 peak 428 assign ( resid 112 and name HB+ ) ( resid 113 and name HN ) 3.62 3.62 0.00 peak 533 assign ( resid 112 and name HD++ ) ( resid 113 and name HN ) 4.92 4.92 0.00 peak 535 assign ( resid 113 and name HN ) ( resid 113 and name HB+ ) 3.57 3.57 0.00 peak 536 assign ( resid 113 and name HN ) ( resid 113 and name HD++ ) 3.50 3.50 0.00 peak 647 assign ( resid 113 and name HA ) ( resid 113 and name HD++ ) 3.83 3.83 0.00 peak 1260 assign ( resid 113 and name HB+ ) ( resid 113 and name HD++ ) 2.66 2.66 0.00 peak 641 assign ( resid 113 and name HB+ ) ( resid 114 and name HN ) 3.98 3.98 0.00 peak 906 assign ( resid 113 and name HD++ ) ( resid 114 and name HN ) 4.10 4.10 0.00 peak 1129 assign ( resid 113 and name HD++ ) ( resid 114 and name HA ) 4.96 4.96 0.00 peak 652 assign ( resid 114 and name HB1 ) ( resid 115 and name HG+ ) 4.03 4.03 0.00 peak 2676 assign ( resid 115 and name HN ) ( resid 115 and name HB+ ) 3.43 3.43 0.00 peak 463 assign ( resid 115 and name HN ) ( resid 115 and name HG+ ) 4.06 4.06 0.00 peak 1434 assign ( resid 115 and name HN ) ( resid 116 and name HD+ ) 3.78 3.78 0.00 peak 459 assign ( resid 115 and name HA ) ( resid 115 and name HG+ ) 3.61 3.61 0.00 peak 660 assign ( resid 115 and name HA ) ( resid 116 and name HG+ ) 4.85 4.85 0.00 peak 1547 assign ( resid 115 and name HB+ ) ( resid 116 and name HD+ ) 3.89 3.89 0.00 peak 978 assign ( resid 116 and name HA ) ( resid 117 and name HB+ ) 5.34 5.34 0.00 peak 897 assign ( resid 117 and name HN ) ( resid 117 and name HB+ ) 3.38 3.38 0.00 peak 313 assign ( resid 117 and name HN ) ( resid 118 and name HD+ ) 5.05 5.05 0.00 peak 990 assign ( resid 117 and name HA ) ( resid 118 and name HG+ ) 4.51 4.51 0.00 peak 2643 assign ( resid 117 and name HA ) ( resid 118 and name HD+ ) 2.98 2.98 0.00 peak 904 assign ( resid 117 and name HB+ ) ( resid 118 and name HD+ ) 3.99 3.99 0.00 peak 2636 assign ( resid 118 and name HD+ ) ( resid 119 and name HN ) 4.43 4.43 0.00 peak 53 assign ( resid 120 and name HN ) ( resid 120 and name HB+ ) 3.64 3.64 0.00 peak 71 assign ( resid 120 and name HA ) ( resid 121 and name HD+ ) 3.13 3.13 0.00 peak 884 assign ( resid 120 and name HB+ ) ( resid 121 and name HD+ ) 4.53 4.53 0.00 peak 1034 assign ( resid 121 and name HB+ ) ( resid 122 and name HN ) 4.00 4.00 0.00 peak 6 assign ( resid 121 and name HG+ ) ( resid 127 and name HB+ ) 4.95 4.95 0.00 peak 2609 assign ( resid 125 and name HA ) ( resid 125 and name HG+ ) 3.17 3.17 0.00 peak 54 assign ( resid 125 and name HA ) ( resid 128 and name HB+ ) 3.56 3.56 0.00 peak 1583 assign ( resid 125 and name HB+ ) ( resid 126 and name HN ) 3.66 3.66 0.00 peak 1185 assign ( resid 125 and name HB+ ) ( resid 129 and name HD++ ) 3.97 3.97 0.00 peak 2062 assign ( resid 125 and name HG+ ) ( resid 129 and name HD++ ) 3.64 3.64 0.00 peak 2467 assign ( resid 125 and name HE2+ ) ( resid 129 and name HD++ ) 3.17 3.17 0.00 peak 89 assign ( resid 126 and name HN ) ( resid 128 and name HB+ ) 5.34 5.34 0.00 peak 2220 assign ( resid 126 and name HA ) ( resid 129 and name HD++ ) 3.76 3.76 0.00 peak 794 assign ( resid 126 and name HB+ ) ( resid 129 and name HD++ ) 4.63 4.63 0.00 peak 2146 assign ( resid 127 and name HA ) ( resid 130 and name HB+ ) 3.68 3.68 0.00 peak 421 assign ( resid 127 and name HB+ ) ( resid 128 and name HB+ ) 4.47 4.47 0.00 peak 1590 assign ( resid 128 and name HN ) ( resid 128 and name HB+ ) 3.38 3.38 0.00 peak 124 assign ( resid 128 and name HN ) ( resid 128 and name HG+ ) 4.93 4.93 0.00 peak 1427 assign ( resid 128 and name HA ) ( resid 128 and name HG+ ) 3.10 3.10 0.00 peak 838 assign ( resid 128 and name HB+ ) ( resid 128 and name HE2+ ) 4.03 4.03 0.00 peak 614 assign ( resid 128 and name HB+ ) ( resid 129 and name HN ) 3.35 3.35 0.00 peak 881 assign ( resid 128 and name HB+ ) ( resid 129 and name HD++ ) 4.12 4.12 0.00 peak 2062 assign ( resid 128 and name HG+ ) ( resid 129 and name HN ) 3.97 3.97 0.00 peak 1426 assign ( resid 128 and name HG+ ) ( resid 129 and name HA ) 4.14 4.14 0.00 peak 837 assign ( resid 129 and name HN ) ( resid 129 and name HD++ ) 3.46 3.46 0.00 peak 406 assign ( resid 129 and name HA ) ( resid 129 and name HD++ ) 2.83 2.83 0.00 peak 106 assign ( resid 129 and name HA ) ( resid 132 and name HB+ ) 3.25 3.25 0.00 peak 989 assign ( resid 129 and name HB1 ) ( resid 129 and name HD++ ) 3.01 3.01 0.00 peak 109 assign ( resid 129 and name HB1 ) ( resid 137 and name HB+ ) 4.49 4.49 0.00 peak 439 assign ( resid 129 and name HD++ ) ( resid 133 and name HN ) 4.04 4.04 0.00 peak 335 assign ( resid 129 and name HD++ ) ( resid 133 and name HB2 ) 3.39 3.39 0.00 peak 107 assign ( resid 129 and name HD++ ) ( resid 133 and name HB1 ) 3.92 3.92 0.00 peak 345 assign ( resid 129 and name HD++ ) ( resid 136 and name HN ) 4.69 4.69 0.00 peak 296 assign ( resid 129 and name HD++ ) ( resid 136 and name HA ) 5.44 5.44 0.00 peak 972 assign ( resid 129 and name HD++ ) ( resid 136 and name HB+ ) 3.31 3.31 0.00 peak 74 assign ( resid 129 and name HD++ ) ( resid 136 and name HG+ ) 3.49 3.49 0.00 peak 3139 assign ( resid 129 and name HD++ ) ( resid 137 and name HN ) 4.26 4.26 0.00 peak 2446 assign ( resid 129 and name HD++ ) ( resid 137 and name HD+ ) 5.02 5.02 0.00 peak 2442 assign ( resid 130 and name HN ) ( resid 137 and name HB+ ) 5.34 5.34 0.00 peak 1169 assign ( resid 130 and name HA ) ( resid 137 and name HB+ ) 4.49 4.49 0.00 peak 2474 assign ( resid 130 and name HB+ ) ( resid 131 and name HN ) 4.04 4.04 0.00 peak 929 assign ( resid 131 and name HN ) ( resid 131 and name HG+ ) 3.42 3.42 0.00 peak 930 assign ( resid 131 and name HA ) ( resid 131 and name HG+ ) 3.55 3.55 0.00 peak 1486 assign ( resid 131 and name HB+ ) ( resid 132 and name HN ) 3.82 3.82 0.00 peak 306 assign ( resid 131 and name HG+ ) ( resid 131 and name HE2+ ) 3.18 3.18 0.00 peak 110 assign ( resid 131 and name HG+ ) ( resid 132 and name HN ) 3.75 3.75 0.00 peak 566 assign ( resid 132 and name HN ) ( resid 132 and name HB+ ) 3.09 3.09 0.00 peak 968 assign ( resid 132 and name HN ) ( resid 132 and name HG+ ) 3.46 3.46 0.00 peak 967 assign ( resid 132 and name HA ) ( resid 132 and name HG+ ) 3.08 3.08 0.00 peak 32 assign ( resid 132 and name HB+ ) ( resid 133 and name HN ) 3.71 3.71 0.00 peak 334 assign ( resid 132 and name HB+ ) ( resid 133 and name HB2 ) 3.58 3.58 0.00 peak 655 assign ( resid 133 and name HB2 ) ( resid 136 and name HB+ ) 4.22 4.22 0.00 peak 1505 assign ( resid 133 and name HB1 ) ( resid 136 and name HB+ ) 4.39 4.39 0.00 peak 2513 assign ( resid 134 and name HA ) ( resid 134 and name HG+ ) 3.48 3.48 0.00 peak 1017 assign ( resid 134 and name HA ) ( resid 134 and name HD+ ) 4.67 4.67 0.00 peak 1493 assign ( resid 134 and name HB+ ) ( resid 134 and name HE+ ) 4.41 4.41 0.00 peak 1992 assign ( resid 134 and name HB+ ) ( resid 135 and name HN ) 4.23 4.23 0.00 peak 1942 assign ( resid 134 and name HG+ ) ( resid 137 and name HB+ ) 4.76 4.76 0.00 peak 3323 assign ( resid 135 and name HN ) ( resid 135 and name HG+ ) 4.81 4.81 0.00 peak 522 assign ( resid 135 and name HA ) ( resid 135 and name HG+ ) 3.53 3.53 0.00 peak 751 assign ( resid 135 and name HA ) ( resid 138 and name HG+ ) 4.12 4.12 0.00 peak 2525 assign ( resid 136 and name HN ) ( resid 136 and name HB+ ) 3.04 3.04 0.00 peak 294 assign ( resid 136 and name HN ) ( resid 136 and name HG+ ) 4.06 4.06 0.00 peak 293 assign ( resid 136 and name HN ) ( resid 137 and name HB+ ) 4.51 4.51 0.00 peak 291 assign ( resid 136 and name HA ) ( resid 136 and name HG+ ) 3.53 3.53 0.00 peak 968 assign ( resid 136 and name HA ) ( resid 139 and name HB+ ) 3.27 3.27 0.00 peak 500 assign ( resid 136 and name HA ) ( resid 139 and name HG+ ) 5.34 5.34 0.00 peak 29 assign ( resid 136 and name HB+ ) ( resid 137 and name HN ) 3.59 3.59 0.00 peak 273 assign ( resid 136 and name HG+ ) ( resid 137 and name HN ) 5.34 5.34 0.00 peak 506 assign ( resid 137 and name HN ) ( resid 138 and name HB+ ) 5.34 5.34 0.00 peak 506 assign ( resid 137 and name HA ) ( resid 140 and name HB+ ) 3.93 3.93 0.00 peak 994 assign ( resid 137 and name HB+ ) ( resid 138 and name HN ) 3.43 3.43 0.00 peak 511 assign ( resid 137 and name HB+ ) ( resid 141 and name HG++ ) 5.01 5.01 0.00 peak 1144 assign ( resid 137 and name HD+ ) ( resid 141 and name HG++ ) 3.73 3.73 0.00 peak 1334 assign ( resid 138 and name HN ) ( resid 138 and name HB+ ) 3.13 3.13 0.00 peak 512 assign ( resid 138 and name HN ) ( resid 138 and name HG+ ) 3.64 3.64 0.00 peak 409 assign ( resid 138 and name HN ) ( resid 139 and name HB+ ) 4.72 4.72 0.00 peak 514 assign ( resid 138 and name HA ) ( resid 138 and name HG+ ) 3.57 3.57 0.00 peak 1345 assign ( resid 138 and name HA ) ( resid 141 and name HG++ ) 3.68 3.68 0.00 peak 1439 assign ( resid 138 and name HB+ ) ( resid 141 and name HG++ ) 4.85 4.85 0.00 peak 1208 assign ( resid 138 and name HG+ ) ( resid 139 and name HN ) 4.77 4.77 0.00 peak 3321 assign ( resid 138 and name HG+ ) ( resid 139 and name HG+ ) 4.76 4.76 0.00 peak 3323 assign ( resid 138 and name HG+ ) ( resid 141 and name HG++ ) 5.28 5.28 0.00 peak 1144 assign ( resid 139 and name HN ) ( resid 139 and name HB+ ) 2.91 2.91 0.00 peak 837 assign ( resid 139 and name HN ) ( resid 139 and name HG+ ) 3.46 3.46 0.00 peak 838 assign ( resid 139 and name HN ) ( resid 141 and name HG++ ) 4.79 4.79 0.00 peak 1336 assign ( resid 139 and name HA ) ( resid 139 and name HG+ ) 3.56 3.56 0.00 peak 1781 assign ( resid 139 and name HA ) ( resid 139 and name HD+ ) 3.91 3.91 0.00 peak 2250 assign ( resid 139 and name HB+ ) ( resid 139 and name HE+ ) 4.71 4.71 0.00 peak 1961 assign ( resid 139 and name HB+ ) ( resid 140 and name HN ) 3.25 3.25 0.00 peak 324 assign ( resid 140 and name HN ) ( resid 140 and name HB+ ) 3.29 3.29 0.00 peak 325 assign ( resid 140 and name HN ) ( resid 140 and name HG+ ) 4.05 4.05 0.00 peak 2561 assign ( resid 140 and name HN ) ( resid 140 and name HD+ ) 4.58 4.58 0.00 peak 2553 assign ( resid 140 and name HN ) ( resid 141 and name HG++ ) 4.17 4.17 0.00 peak 983 assign ( resid 140 and name HA ) ( resid 140 and name HG+ ) 3.74 3.74 0.00 peak 739 assign ( resid 140 and name HA ) ( resid 140 and name HD+ ) 3.55 3.55 0.00 peak 2549 assign ( resid 140 and name HB+ ) ( resid 141 and name HN ) 3.38 3.38 0.00 peak 1068 assign ( resid 140 and name HD+ ) ( resid 143 and name HB+ ) 4.50 4.50 0.00 peak 2571 assign ( resid 140 and name HD+ ) ( resid 144 and name HN ) 5.34 5.34 0.00 peak 2551 assign ( resid 140 and name HD+ ) ( resid 144 and name HG2+ ) 4.49 4.49 0.00 peak 2544 assign ( resid 141 and name HN ) ( resid 141 and name HG++ ) 3.11 3.11 0.00 peak 860 assign ( resid 141 and name HA ) ( resid 144 and name HG1+ ) 3.88 3.88 0.00 peak 1318 assign ( resid 141 and name HG++ ) ( resid 142 and name HN ) 3.41 3.41 0.00 peak 111 assign ( resid 141 and name HG++ ) ( resid 142 and name HA ) 4.38 4.38 0.00 peak 1341 assign ( resid 141 and name HG++ ) ( resid 144 and name HG1+ ) 5.13 5.13 0.00 peak 2406 assign ( resid 141 and name HG++ ) ( resid 144 and name HD1+ ) 3.68 3.68 0.00 peak 2587 assign ( resid 141 and name HG++ ) ( resid 145 and name HB ) 4.89 4.89 0.00 peak 1343 assign ( resid 141 and name HG++ ) ( resid 145 and name HG++ ) 3.23 3.23 0.00 peak 721 assign ( resid 142 and name HA ) ( resid 145 and name HG++ ) 3.22 3.22 0.00 peak 796 assign ( resid 143 and name HB+ ) ( resid 144 and name HG1+ ) 4.01 4.01 0.00 peak 2575 assign ( resid 143 and name HB+ ) ( resid 147 and name HG+ ) 4.36 4.36 0.00 peak 2573 assign ( resid 144 and name HN ) ( resid 144 and name HG1+ ) 3.61 3.61 0.00 peak 525 assign ( resid 144 and name HA ) ( resid 147 and name HG+ ) 3.73 3.73 0.00 peak 2578 assign ( resid 144 and name HG2+ ) ( resid 144 and name HG1+ ) 3.37 3.37 0.00 peak 2597 assign ( resid 144 and name HG1+ ) ( resid 145 and name HN ) 4.50 4.50 0.00 peak 504 assign ( resid 144 and name HD1+ ) ( resid 145 and name HG++ ) 3.94 3.94 0.00 peak 2585 assign ( resid 145 and name HN ) ( resid 145 and name HG++ ) 3.08 3.08 0.00 peak 104 assign ( resid 145 and name HG++ ) ( resid 146 and name HN ) 3.59 3.59 0.00 peak 1367 assign ( resid 145 and name HG++ ) ( resid 146 and name HA ) 4.98 4.98 0.00 peak 1010 assign ( resid 145 and name HG++ ) ( resid 148 and name HN ) 5.40 5.40 0.00 peak 1368 assign ( resid 145 and name HG++ ) ( resid 149 and name HD1 ) 3.53 3.53 0.00 peak 1365 assign ( resid 145 and name HG++ ) ( resid 149 and name HE1 ) 3.84 3.84 0.00 peak 851 assign ( resid 146 and name HN ) ( resid 146 and name HB+ ) 3.59 3.59 0.00 peak 346 assign ( resid 146 and name HN ) ( resid 146 and name HG+ ) 4.61 4.61 0.00 peak 345 assign ( resid 146 and name HN ) ( resid 147 and name HG+ ) 4.26 4.26 0.00 peak 347 assign ( resid 146 and name HA ) ( resid 146 and name HG+ ) 3.36 3.36 0.00 peak 1859 assign ( resid 146 and name HB+ ) ( resid 147 and name HN ) 3.41 3.41 0.00 peak 518 assign ( resid 146 and name HG+ ) ( resid 147 and name HN ) 4.88 4.88 0.00 peak 631 assign ( resid 147 and name HN ) ( resid 147 and name HB+ ) 3.59 3.59 0.00 peak 519 assign ( resid 147 and name HN ) ( resid 147 and name HG+ ) 3.67 3.67 0.00 peak 142 assign ( resid 147 and name HA ) ( resid 147 and name HG+ ) 3.70 3.70 0.00 peak 2137 assign ( resid 147 and name HG+ ) ( resid 148 and name HN ) 5.08 5.08 0.00 peak 615
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