============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 17 0.840 72.938 123.108 -94.040 -99.200 -91.000 PHE 28 1.000 73.686 116.854 -77.758 -99.200 -91.000 HIS 59 0.900 83.669 137.845-115.177 -99.200 -91.000 TYR 60 0.840 82.445 132.423-116.581 -99.200 -91.000 TYR 61 0.840 75.499 139.081-122.055 -99.200 -91.000 HIS 62 0.900 81.921 142.886-119.182 -99.200 -91.000 HIS 65 0.900 77.097 142.069-125.682 -99.200 -91.000 PHE 69 1.000 85.361 134.050-123.549 -99.200 -91.000 HIS 103 0.900 71.947 111.736 -99.234 -99.200 -91.000 PHE 105 1.000 68.377 118.718 -91.960 -99.200 -91.000 HIS 112 0.900 62.068 118.775 -93.374 -99.200 -91.000 TYR 116 0.840 55.908 130.988 -88.003 -99.200 -91.000 PHE 153 1.000 63.102 154.113 -98.191 -99.200 -91.000 TRP 195 1.040 69.354 142.293-112.354 -99.200 -91.000 TRP6 195 1.020 68.364 140.867-113.977 -99.200 -91.000 PHE 207 1.000 71.659 159.015 -94.434 -99.200 -91.000 HIS 210 0.900 81.240 153.445 -96.485 -99.200 -91.000 PHE 224 1.000 83.537 146.960-104.935 -99.200 -91.000 PHE 233 1.000 76.523 149.524-109.345 -99.200 -91.000 PHE 235 1.000 78.516 152.845-107.133 -99.200 -91.000 PHE 281 1.000 60.335 135.860 -89.320 -99.200 -91.000 PHE 306 1.000 77.114 131.642 -80.072 -99.200 -91.000 TYR 314 0.840 72.084 126.295 -75.690 -99.200 -91.000 HIS 327 0.900 81.394 133.854 -93.981 -99.200 -91.000 HIS 346 0.900 87.158 129.818 -76.672 -99.200 -91.000 TYR 349 0.840 80.973 137.178 -83.487 -99.200 -91.000 TYR 357 0.840 81.393 135.643-102.920 -99.200 -91.000 HIS 359 0.900 86.297 139.964-112.780 -99.200 -91.000 TRP 364 1.040 86.380 143.555 -94.776 -99.200 -91.000 TRP6 364 1.020 84.841 143.966 -96.544 -99.200 -91.000 TYR 379 0.840 97.508 151.770 -89.284 -99.200 -91.000 PHE 384 1.000 102.949 142.783-105.814 -99.200 -91.000 PHE 386 1.000 95.283 140.967-106.849 -99.200 -91.000 HIS 417 0.900 91.343 145.650 -94.939 -99.200 -91.000 TYR 436 0.840 98.592 128.264 -86.076 -99.200 -91.000 HIS 448 0.900 102.166 132.528-100.231 -99.200 -91.000 HIS 450 0.900 105.896 132.819-110.736 -99.200 -91.000 PHE 457 1.000 97.771 137.139 -97.379 -99.200 -91.000 PHE 466 1.000 113.784 144.238 -96.992 -99.200 -91.000 PHE 472 1.000 104.088 148.831-107.410 -99.200 -91.000