============================================================================= 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 -75.907-122.564 -34.015 -99.200 -91.000 TRP 33 1.040 -66.934-121.172 -32.985 -99.200 -91.000 TRP6 33 1.020 -64.861-122.176 -32.416 -99.200 -91.000 PHE 34 1.000 -66.682-112.781 -34.269 -99.200 -91.000 HIS 40 0.900 -57.556-119.579 -29.296 -99.200 -91.000 PHE 41 1.000 -57.467-114.925 -38.893 -99.200 -91.000 HIS 51 0.900 -29.396-117.660 -42.522 -99.200 -91.000 TYR 58 0.840 -38.509-133.837 -38.108 -99.200 -91.000 PHE 61 1.000 -23.244-138.406 -38.865 -99.200 -91.000 HIS 65 0.900 -14.905-143.610 -43.529 -99.200 -91.000 TYR 70 0.840 -7.800-137.392 -35.010 -99.200 -91.000 PHE 76 1.000 -19.120-137.053 -34.974 -99.200 -91.000 PHE 86 1.000 -36.060-129.480 -38.578 -99.200 -91.000 PHE 89 1.000 -30.850-128.020 -46.371 -99.200 -91.000 PHE 108 1.000 -25.862-128.145 -45.488 -99.200 -91.000 PHE 112 1.000 -25.822-133.495 -36.851 -99.200 -91.000 TYR 113 0.840 -33.852-134.009 -32.888 -99.200 -91.000 TRP 119 1.040 -22.976-130.521 -32.796 -99.200 -91.000 TRP6 119 1.020 -22.068-131.932 -34.461 -99.200 -91.000 PHE 129 1.000 -21.516-114.109 -42.423 -99.200 -91.000 PHE 130 1.000 -21.098-111.462 -47.107 -99.200 -91.000 PHE 137 1.000 -25.365-111.399 -38.355 -99.200 -91.000 HIS 142 0.900 -29.625-102.652 -38.882 -99.200 -91.000 TRP 159 1.040 -22.529-103.925 -54.251 -99.200 -91.000 TRP6 159 1.020 -20.690-105.403 -54.499 -99.200 -91.000 PHE 161 1.000 -21.279-103.842 -43.317 -99.200 -91.000 TRP 162 1.040 -21.136-106.973 -48.602 -99.200 -91.000 TRP6 162 1.020 -22.165-107.953 -50.497 -99.200 -91.000 HIS 170 0.900 -12.262-116.738 -49.088 -99.200 -91.000 TYR 185 0.840 -33.207-124.395 -49.590 -99.200 -91.000 HIS 187 0.900 -29.284-130.639 -57.223 -99.200 -91.000 HIS 189 0.900 -20.218-129.301 -52.040 -99.200 -91.000 PHE 191 1.000 -18.472-125.672 -47.240 -99.200 -91.000 HIS 194 0.900 -18.213-119.322 -36.850 -99.200 -91.000 PHE 196 1.000 -18.243-124.743 -34.725 -99.200 -91.000 PHE 198 1.000 -14.274-133.388 -33.848 -99.200 -91.000 TYR 206 0.840 -6.509-133.950 -31.650 -99.200 -91.000 TRP 207 1.040 -7.294-125.114 -32.200 -99.200 -91.000 TRP6 207 1.020 -8.857-124.398 -30.558 -99.200 -91.000 PHE 210 1.000 -17.804-129.909 -36.805 -99.200 -91.000 HIS 211 0.900 -14.539-128.723 -44.996 -99.200 -91.000 PHE 212 1.000 -22.214-131.370 -42.154 -99.200 -91.000 HIS 237 0.900 -34.090-122.911 -54.446 -99.200 -91.000 PHE 250 1.000 -36.174-140.914 -48.698 -99.200 -91.000 TRP 253 1.040 -25.490-132.042 -48.297 -99.200 -91.000 TRP6 253 1.020 -27.859-132.157 -48.378 -99.200 -91.000 TYR 270 0.840 -3.565-121.362 -42.475 -99.200 -91.000 PHE 273 1.000 -8.053-120.105 -33.236 -99.200 -91.000 TRP 279 1.040 -8.198-124.026 -40.595 -99.200 -91.000 TRP6 279 1.020 -8.642-125.784 -39.077 -99.200 -91.000 HIS 281 0.900 -9.906-128.764 -48.846 -99.200 -91.000 TYR 284 0.840 -3.800-128.175 -40.657 -99.200 -91.000 PHE 292 1.000 -27.077-134.045 -43.559 -99.200 -91.000 TYR 301 0.840 -42.499-123.941 -42.964 -99.200 -91.000 PHE 302 1.000 -46.440-121.434 -35.782 -99.200 -91.000 PHE 310 1.000 -31.887-125.661 -36.847 -99.200 -91.000 PHE 321 1.000 -19.179-123.434 -27.340 -99.200 -91.000 PHE 332 1.000 -26.503-111.803 -25.934 -99.200 -91.000 TYR 334 0.840 -27.282-118.034 -34.030 -99.200 -91.000 TYR 340 0.840 -38.641-110.337 -29.691 -99.200 -91.000 HIS 346 0.900 -36.350-121.441 -27.194 -99.200 -91.000 HIS 348 0.900 -40.268-127.155 -21.596 -99.200 -91.000 HIS 359 0.900 -33.590-133.603 -13.144 -99.200 -91.000 TYR 361 0.840 -31.824-124.388 -11.439 -99.200 -91.000 HIS 362 0.900 -32.710-123.535 -17.410 -99.200 -91.000 PHE 373 1.000 -37.498-129.670 -14.159 -99.200 -91.000 TYR 379 0.840 -32.776-125.436 -1.572 -99.200 -91.000 TRP 387 1.040 -32.487-128.841 -9.185 -99.200 -91.000 TRP6 387 1.020 -33.707-129.614 -11.065 -99.200 -91.000 PHE 393 1.000 -20.599-136.360 -19.289 -99.200 -91.000 HIS 406 0.900 -13.359-103.203 -26.734 -99.200 -91.000 TRP 407 1.040 -6.202-107.704 -27.570 -99.200 -91.000 TRP6 407 1.020 -4.001-106.879 -27.329 -99.200 -91.000 HIS 409 0.900 -10.888-106.911 -38.221 -99.200 -91.000 TYR 415 0.840 -7.792-106.464 -44.688 -99.200 -91.000 PHE 416 1.000 -7.178-106.657 -50.495 -99.200 -91.000 PHE 423 1.000 -9.932-114.039 -61.255 -99.200 -91.000 PHE 435 1.000 -13.778-111.238 -64.676 -99.200 -91.000 HIS 453 0.900 -16.102-105.856 -55.298 -99.200 -91.000 HIS 456 0.900 -11.230-103.271 -51.121 -99.200 -91.000 TYR 458 0.840 -4.694-104.176 -60.388 -99.200 -91.000 TYR 464 0.840 -12.394-110.831 -58.283 -99.200 -91.000 PHE 474 1.000 -15.233 -97.807 -62.802 -99.200 -91.000 TYR 479 0.840 -9.117-101.162 -62.362 -99.200 -91.000