============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 30 1.000 -8.612 27.866 24.069 -99.200 -91.000 TRP 35 1.040 -4.013 32.971 38.750 -99.200 -91.000 TRP6 35 1.020 -3.807 31.105 40.192 -99.200 -91.000 TYR 36 0.840 -11.587 35.206 38.410 -99.200 -91.000 PHE 49 1.000 -6.320 41.112 32.009 -99.200 -91.000 HIS 53 0.900 -1.383 40.511 29.665 -99.200 -91.000 PHE 62 1.000 -2.011 40.014 45.038 -99.200 -91.000 HIS 79 0.900 -0.901 44.445 54.258 -99.200 -91.000 TYR 86 0.840 -5.451 35.017 46.756 -99.200 -91.000 PHE 87 1.000 -12.074 29.871 44.861 -99.200 -91.000 HIS 96 0.900 -18.638 24.014 28.081 -99.200 -91.000 PHE 99 1.000 -14.368 30.083 38.203 -99.200 -91.000 PHE 120 1.000 -16.418 12.397 71.411 -99.200 -91.000 PHE 141 1.000 -7.715 22.794 61.840 -99.200 -91.000 TYR 142 0.840 -2.562 30.262 62.172 -99.200 -91.000 TRP 150 1.040 -14.794 10.066 58.030 -99.200 -91.000 TRP6 150 1.020 -15.145 9.532 60.301 -99.200 -91.000 TYR 174 0.840 -8.693 29.266 61.398 -99.200 -91.000 TYR 179 0.840 -20.820 15.872 62.315 -99.200 -91.000 TRP 187 1.040 -21.187 0.675 65.593 -99.200 -91.000 TRP6 187 1.020 -19.047 1.697 65.728 -99.200 -91.000 HIS 190 0.900 -17.296 -2.572 57.511 -99.200 -91.000 TYR 193 0.840 -16.991 1.617 60.687 -99.200 -91.000 HIS 199 0.900 -2.680 21.868 59.789 -99.200 -91.000