============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 14 0.900 -16.649-126.894 -14.725 -99.200 -91.000 TRP 33 1.040 -25.293-124.107 -16.100 -99.200 -91.000 TRP6 33 1.020 -27.516-124.830 -16.492 -99.200 -91.000 PHE 34 1.000 -23.831-115.725 -16.028 -99.200 -91.000 HIS 40 0.900 -34.422-121.299 -20.004 -99.200 -91.000 PHE 41 1.000 -33.121-115.221 -11.325 -99.200 -91.000 HIS 51 0.900 -61.272-112.143 -7.708 -99.200 -91.000 TYR 58 0.840 -55.420-130.134 -9.551 -99.200 -91.000 PHE 61 1.000 -71.240-131.698 -8.475 -99.200 -91.000 HIS 65 0.900 -80.400-133.860 -3.357 -99.200 -91.000 TYR 70 0.840 -86.293-128.095 -12.691 -99.200 -91.000 PHE 76 1.000 -75.145-129.972 -12.606 -99.200 -91.000 PHE 86 1.000 -56.917-125.498 -9.727 -99.200 -91.000 PHE 89 1.000 -61.707-122.028 -2.359 -99.200 -91.000 PHE 108 1.000 -66.683-121.288 -3.373 -99.200 -91.000 PHE 112 1.000 -67.754-127.672 -11.087 -99.200 -91.000 TYR 113 0.840 -60.114-130.338 -14.885 -99.200 -91.000 TRP 119 1.040 -70.122-124.776 -15.591 -99.200 -91.000 TRP6 119 1.020 -71.267-125.718 -13.733 -99.200 -91.000 PHE 129 1.000 -68.253-107.061 -8.295 -99.200 -91.000 PHE 130 1.000 -68.068-103.823 -4.012 -99.200 -91.000 PHE 137 1.000 -64.182-105.826 -12.632 -99.200 -91.000 HIS 142 0.900 -58.109 -98.055 -13.357 -99.200 -91.000 TRP 159 1.040 -65.187 -95.800 2.044 -99.200 -91.000 TRP6 159 1.020 -67.273 -96.852 2.451 -99.200 -91.000 PHE 161 1.000 -66.470 -96.918 -8.796 -99.200 -91.000 TRP 162 1.040 -67.192 -99.296 -3.098 -99.200 -91.000 TRP6 162 1.020 -66.295-100.123 -1.069 -99.200 -91.000 HIS 170 0.900 -77.783-106.970 -1.481 -99.200 -91.000 TYR 185 0.840 -58.701-118.501 0.387 -99.200 -91.000 HIS 187 0.900 -63.599-122.748 8.741 -99.200 -91.000 HIS 189 0.900 -72.219-120.303 3.277 -99.200 -91.000 PHE 191 1.000 -73.452-117.066 -2.064 -99.200 -91.000 HIS 194 0.900 -72.563-112.385 -13.285 -99.200 -91.000 PHE 196 1.000 -73.556-117.921 -14.652 -99.200 -91.000 PHE 198 1.000 -79.177-125.715 -14.296 -99.200 -91.000 TYR 206 0.840 -86.921-125.019 -16.568 -99.200 -91.000 TRP 207 1.040 -84.451-116.536 -17.104 -99.200 -91.000 TRP6 207 1.020 -82.844-116.266 -18.825 -99.200 -91.000 PHE 210 1.000 -75.046-122.523 -11.688 -99.200 -91.000 HIS 211 0.900 -77.806-119.694 -3.847 -99.200 -91.000 PHE 212 1.000 -70.854-124.154 -6.126 -99.200 -91.000 HIS 237 0.900 -57.555-116.481 4.979 -99.200 -91.000 PHE 250 1.000 -58.868-135.091 1.909 -99.200 -91.000 TRP 253 1.040 -67.618-124.608 0.102 -99.200 -91.000 TRP6 253 1.020 -65.338-125.253 0.203 -99.200 -91.000 TYR 270 0.840 -87.384-110.734 -7.374 -99.200 -91.000 PHE 273 1.000 -82.787-111.639 -16.811 -99.200 -91.000 TRP 279 1.040 -83.346-114.465 -9.068 -99.200 -91.000 TRP6 279 1.020 -83.202-116.505 -10.258 -99.200 -91.000 HIS 281 0.900 -82.328-118.124 -0.362 -99.200 -91.000 TYR 284 0.840 -88.344-117.806 -8.465 -99.200 -91.000 PHE 292 1.000 -66.663-127.556 -4.332 -99.200 -91.000 TYR 301 0.840 -49.613-120.627 -6.166 -99.200 -91.000 PHE 302 1.000 -45.355-119.980 -13.700 -99.200 -91.000 PHE 310 1.000 -60.430-121.204 -12.103 -99.200 -91.000 PHE 321 1.000 -72.670-117.733 -21.920 -99.200 -91.000 PHE 332 1.000 -63.184-108.072 -24.909 -99.200 -91.000 TYR 334 0.840 -63.414-113.279 -15.994 -99.200 -91.000 TYR 340 0.840 -50.944-108.545 -21.295 -99.200 -91.000 HIS 346 0.900 -55.283-119.274 -22.173 -99.200 -91.000 HIS 348 0.900 -52.696-126.633 -26.791 -99.200 -91.000 HIS 359 0.900 -60.576-132.233 -34.641 -99.200 -91.000 TYR 361 0.840 -60.634-123.405 -37.511 -99.200 -91.000 HIS 362 0.900 -59.513-121.821 -31.664 -99.200 -91.000 PHE 373 1.000 -55.922-129.220 -34.028 -99.200 -91.000 TYR 379 0.840 -60.113-125.910 -46.959 -99.200 -91.000 TRP 387 1.040 -60.832-128.162 -39.085 -99.200 -91.000 TRP6 387 1.020 -59.697-128.834 -37.117 -99.200 -91.000 PHE 393 1.000 -73.863-131.796 -28.131 -99.200 -91.000 HIS 406 0.900 -74.391 -97.153 -25.509 -99.200 -91.000 TRP 407 1.040 -82.333 -99.945 -24.135 -99.200 -91.000 TRP6 407 1.020 -84.323 -98.694 -24.452 -99.200 -91.000 HIS 409 0.900 -77.349 -98.707 -13.800 -99.200 -91.000 TYR 415 0.840 -80.261 -96.740 -7.294 -99.200 -91.000 PHE 416 1.000 -81.075 -96.078 -1.613 -99.200 -91.000 PHE 423 1.000 -79.555-102.392 10.079 -99.200 -91.000 PHE 435 1.000 -75.168 -99.882 13.150 -99.200 -91.000 HIS 453 0.900 -71.894 -96.294 3.119 -99.200 -91.000 HIS 456 0.900 -76.260 -93.434 -1.306 -99.200 -91.000 TYR 458 0.840 -82.966 -92.046 7.833 -99.200 -91.000 TYR 464 0.840 -76.581-100.130 6.793 -99.200 -91.000 PHE 474 1.000 -71.720 -87.132 8.853 -99.200 -91.000 TYR 479 0.840 -78.006 -89.549 9.612 -99.200 -91.000