============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 30 0.840 16.480 -2.986 26.806 -99.200 -91.000 TYR 36 0.840 15.414 0.585 31.183 -99.200 -91.000 TRP 39 1.040 20.228 12.130 36.943 -99.200 -91.000 TRP6 39 1.020 22.436 12.981 36.957 -99.200 -91.000 PHE 40 1.000 20.831 5.677 42.915 -99.200 -91.000 TYR 53 0.840 11.503 5.205 38.228 -99.200 -91.000 PHE 66 1.000 16.381 17.438 43.954 -99.200 -91.000 PHE 75 1.000 21.808 9.916 29.760 -99.200 -91.000 TYR 90 0.840 22.892 16.150 43.903 -99.200 -91.000 TYR 91 0.840 27.913 9.098 44.148 -99.200 -91.000 PHE 95 1.000 18.977 -1.577 36.831 -99.200 -91.000 TYR 98 0.840 27.220 -9.024 33.463 -99.200 -91.000 PHE 100 1.000 22.250 -3.645 36.114 -99.200 -91.000 PHE 102 1.000 26.000 2.745 41.460 -99.200 -91.000 PHE 122 1.000 36.846 22.657 74.346 -99.200 -91.000 PHE 139 1.000 36.059 20.566 69.214 -99.200 -91.000 PHE 143 1.000 35.937 27.093 58.991 -99.200 -91.000 TYR 144 0.840 31.322 30.100 52.046 -99.200 -91.000 TRP 152 1.040 47.493 23.741 67.651 -99.200 -91.000 TRP6 152 1.020 46.155 23.727 69.606 -99.200 -91.000 TRP 167 1.040 39.936 21.169 57.357 -99.200 -91.000 TRP6 167 1.020 41.876 19.823 57.190 -99.200 -91.000 TYR 177 0.840 32.904 24.418 53.639 -99.200 -91.000 TYR 190 0.840 49.358 20.388 79.495 -99.200 -91.000 HIS 193 0.900 57.187 24.623 77.081 -99.200 -91.000 TYR 196 0.840 50.282 24.264 76.590 -99.200 -91.000 HIS 202 0.900 37.288 32.455 57.340 -99.200 -91.000 PHE 213 1.000 45.189 25.572 78.025 -99.200 -91.000