============================================================================= 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 33.131-224.527 39.473 -99.200 -91.000 PHE 11 1.000 31.301-216.605 46.030 -99.200 -91.000 PHE 18 1.000 39.311-224.418 44.958 -99.200 -91.000 TYR 22 0.840 44.997-222.572 43.155 -99.200 -91.000 PHE 44 1.000 55.262-203.794 63.375 -99.200 -91.000 HIS 69 0.900 50.441-193.320 62.698 -99.200 -91.000 TYR 74 0.840 55.787-206.322 52.349 -99.200 -91.000 HIS 83 0.900 49.762-202.208 43.979 -99.200 -91.000 PHE 95 1.000 41.807-190.704 59.299 -99.200 -91.000 TYR 99 0.840 38.558-187.554 58.244 -99.200 -91.000 PHE 108 1.000 47.787-198.470 57.325 -99.200 -91.000 TYR 115 0.840 44.548-201.214 46.913 -99.200 -91.000 HIS 119 0.900 43.615-205.233 44.260 -99.200 -91.000 TYR 122 0.840 36.110-205.629 40.561 -99.200 -91.000 PHE 128 1.000 47.361-206.321 46.870 -99.200 -91.000 PHE 134 1.000 48.029-203.697 59.156 -99.200 -91.000 HIS 143 0.900 45.378-199.715 68.347 -99.200 -91.000 TYR 145 0.840 44.468-204.136 63.457 -99.200 -91.000 TYR 153 0.840 40.955-205.779 59.055 -99.200 -91.000 TRP 154 1.040 40.233-212.096 62.191 -99.200 -91.000 TRP6 154 1.020 38.007-211.320 62.393 -99.200 -91.000 TYR 156 0.840 46.250-212.001 64.332 -99.200 -91.000 HIS 178 0.900 55.273-219.640 79.828 -99.200 -91.000 TYR 196 0.840 69.324-215.521 65.467 -99.200 -91.000 HIS 199 0.900 67.370-219.347 59.170 -99.200 -91.000 PHE 207 1.000 68.663-215.663 60.457 -99.200 -91.000 TRP 213 1.040 62.033-199.873 68.712 -99.200 -91.000 TRP6 213 1.020 62.572-200.039 71.017 -99.200 -91.000 HIS 223 0.900 58.624-198.416 61.781 -99.200 -91.000 PHE 225 1.000 63.373-199.738 59.587 -99.200 -91.000 PHE 237 1.000 66.711-213.031 75.134 -99.200 -91.000