============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 33.447-224.726 39.528 -99.200 -91.000 PHE 11 1.000 31.623-216.672 46.006 -99.200 -91.000 PHE 18 1.000 39.629-224.456 44.945 -99.200 -91.000 TYR 22 0.840 45.178-222.640 43.235 -99.200 -91.000 PHE 44 1.000 55.467-203.875 63.370 -99.200 -91.000 HIS 69 0.900 50.652-193.364 62.825 -99.200 -91.000 TYR 74 0.840 55.984-206.386 52.466 -99.200 -91.000 HIS 83 0.900 49.943-202.324 44.070 -99.200 -91.000 PHE 95 1.000 41.985-190.739 59.320 -99.200 -91.000 TYR 99 0.840 38.716-187.543 58.283 -99.200 -91.000 PHE 108 1.000 47.981-198.489 57.382 -99.200 -91.000 TYR 115 0.840 44.707-201.257 47.010 -99.200 -91.000 HIS 119 0.900 43.866-205.227 44.351 -99.200 -91.000 TYR 122 0.840 36.380-205.728 40.561 -99.200 -91.000 PHE 128 1.000 47.598-206.429 46.886 -99.200 -91.000 PHE 134 1.000 48.137-203.733 59.245 -99.200 -91.000 HIS 143 0.900 45.469-199.806 68.429 -99.200 -91.000 TYR 145 0.840 44.689-204.195 63.474 -99.200 -91.000 TYR 153 0.840 41.137-205.841 59.082 -99.200 -91.000 TRP 154 1.040 40.406-212.171 62.225 -99.200 -91.000 TRP6 154 1.020 38.157-211.459 62.421 -99.200 -91.000 TYR 156 0.840 46.380-212.009 64.334 -99.200 -91.000 HIS 178 0.900 55.390-219.690 79.979 -99.200 -91.000 TYR 196 0.840 69.465-215.470 65.611 -99.200 -91.000 HIS 199 0.900 67.567-219.340 59.328 -99.200 -91.000 PHE 207 1.000 68.843-215.660 60.579 -99.200 -91.000 TRP 213 1.040 62.086-199.889 68.862 -99.200 -91.000 TRP6 213 1.020 62.660-200.065 71.154 -99.200 -91.000 HIS 223 0.900 58.799-198.439 61.871 -99.200 -91.000 PHE 225 1.000 63.585-199.726 59.707 -99.200 -91.000 PHE 237 1.000 66.856-213.146 75.222 -99.200 -91.000