============================================================================= 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 1 0.840 -4.127 7.839 17.762 -99.200 -91.000 TYR 4 0.840 -11.499 10.509 17.345 -99.200 -91.000 HIS 18 0.900 9.052 18.378 13.598 -99.200 -91.000 PHE 23 1.000 7.644 11.984 20.025 -99.200 -91.000 HIS 25 0.900 5.153 12.350 30.198 -99.200 -91.000 TYR 40 0.840 -9.552 0.090 34.785 -99.200 -91.000 TYR 42 0.840 -13.015 5.965 26.820 -99.200 -91.000 HIS 54 0.900 0.035 14.009 28.177 -99.200 -91.000 TYR 56 0.840 0.547 20.428 19.552 -99.200 -91.000 PHE 65 1.000 1.315 27.883 27.862 -99.200 -91.000 TYR 72 0.840 -7.734 31.289 20.816 -99.200 -91.000 TRP 81 1.040 -3.436 30.169 39.169 -99.200 -91.000 TRP6 81 1.020 -3.038 28.824 41.075 -99.200 -91.000 TRP 86 1.040 -1.095 29.886 32.535 -99.200 -91.000 TRP6 86 1.020 0.809 31.275 32.483 -99.200 -91.000 HIS 87 0.900 1.159 21.430 31.150 -99.200 -91.000 TYR 93 0.840 -8.592 28.133 24.688 -99.200 -91.000 HIS 113 0.900 -2.238 17.511 30.865 -99.200 -91.000 TYR 127 0.840 -5.441 13.281 37.770 -99.200 -91.000 TYR 131 0.840 1.324 10.084 40.090 -99.200 -91.000 HIS 134 0.900 7.795 3.164 28.972 -99.200 -91.000 PHE 138 1.000 5.851 9.718 40.052 -99.200 -91.000 TYR 158 0.840 -0.607 6.583 46.016 -99.200 -91.000 PHE 166 1.000 6.266 17.865 44.456 -99.200 -91.000 TYR 175 0.840 -6.478 26.172 38.671 -99.200 -91.000 TYR 182 0.840 -7.046 15.494 49.157 -99.200 -91.000 TYR 185 0.840 -12.446 11.218 41.229 -99.200 -91.000 TYR 188 0.840 -14.021 5.986 43.993 -99.200 -91.000