============================================================================= 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 9 0.840 -18.903 40.723-100.819 -99.200 -91.000 PHE 20 1.000 -21.793 35.032 -90.914 -99.200 -91.000 TRP 21 1.040 -32.097 33.442 -93.036 -99.200 -91.000 TRP6 21 1.020 -32.709 33.531 -95.296 -99.200 -91.000 HIS 28 0.900 -31.980 19.557-100.400 -99.200 -91.000 TYR 32 0.840 -24.535 18.856 -94.794 -99.200 -91.000 TRP 33 1.040 -25.022 27.416 -90.667 -99.200 -91.000 TRP6 33 1.020 -24.956 29.375 -91.982 -99.200 -91.000 TYR 34 0.840 -19.323 22.365 -95.334 -99.200 -91.000 PHE 48 1.000 -28.366 23.188 -87.039 -99.200 -91.000 PHE 64 1.000 -17.402 30.720 -85.458 -99.200 -91.000 TYR 89 0.840 -17.779 32.366 -91.307 -99.200 -91.000 PHE 95 1.000 -33.787 15.505-101.609 -99.200 -91.000 TRP 97 1.040 -27.441 13.080 -91.992 -99.200 -91.000 TRP6 97 1.020 -26.445 11.700 -90.363 -99.200 -91.000 TYR 107 0.840 -27.451 19.679-104.926 -99.200 -91.000 PHE 108 1.000 -20.871 23.454-100.045 -99.200 -91.000 PHE 124 1.000 -10.225 55.096 -96.512 -99.200 -91.000 PHE 131 1.000 -8.328 55.819-116.619 -99.200 -91.000 HIS 140 0.900 -1.957 47.446-134.487 -99.200 -91.000 PHE 153 1.000 -11.269 48.045-104.218 -99.200 -91.000 TYR 154 0.840 -8.821 47.320 -95.736 -99.200 -91.000 HIS 157 0.900 -16.227 42.846 -97.701 -99.200 -91.000 TRP 162 1.040 -16.637 46.748-117.939 -99.200 -91.000 TRP6 162 1.020 -16.066 48.896-118.715 -99.200 -91.000 TRP 163 1.040 -24.108 47.558-115.309 -99.200 -91.000 TRP6 163 1.020 -26.299 46.738-114.971 -99.200 -91.000 HIS 170 0.900 -23.523 39.233-122.891 -99.200 -91.000 TYR 191 0.840 -7.055 44.930-100.955 -99.200 -91.000 PHE 203 1.000 -22.224 48.417-129.404 -99.200 -91.000 TRP 204 1.040 -14.711 54.197-128.776 -99.200 -91.000 TRP6 204 1.020 -15.497 54.974-126.687 -99.200 -91.000 HIS 210 0.900 -24.448 55.657-120.424 -99.200 -91.000 PHE 211 1.000 -19.447 51.511-125.023 -99.200 -91.000 PHE 217 1.000 -17.042 49.622-100.178 -99.200 -91.000 TYR 218 0.840 -21.909 43.801-101.985 -99.200 -91.000 TRP 226 1.040 -17.857 57.322 -90.513 -99.200 -91.000 TRP6 226 1.020 -16.299 55.684 -91.169 -99.200 -91.000 TRP 243 1.040 -22.757 59.568-123.188 -99.200 -91.000 TRP6 243 1.020 -24.834 58.588-123.766 -99.200 -91.000