============================================================================= 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. TRP 24 1.040 9.292 32.661 -8.034 -99.200 -91.000 TRP6 24 1.020 10.124 30.655 -7.107 -99.200 -91.000 PHE 31 1.000 -2.063 34.967 -5.238 -99.200 -91.000 TYR 33 0.840 -1.826 25.741 -11.459 -99.200 -91.000 PHE 34 1.000 -1.940 28.695 -3.229 -99.200 -91.000 TRP 57 1.040 -0.935 32.601 9.965 -99.200 -91.000 TRP6 57 1.020 -3.100 32.456 9.008 -99.200 -91.000 PHE 58 1.000 2.600 34.322 12.276 -99.200 -91.000 HIS 87 0.900 -10.854 29.824 8.744 -99.200 -91.000 PHE 88 1.000 -11.158 24.318 12.378 -99.200 -91.000 TRP 113 1.040 -6.124 21.723 -2.734 -99.200 -91.000 TRP6 113 1.020 -4.852 21.306 -4.671 -99.200 -91.000 TYR 121 0.840 5.360 21.991 0.004 -99.200 -91.000 HIS 127 0.900 -1.313 10.594 5.225 -99.200 -91.000 HIS 130 0.900 -4.488 9.957 -5.645 -99.200 -91.000 PHE 134 1.000 -2.590 19.250 -8.681 -99.200 -91.000 PHE 142 1.000 14.584 33.360 -9.974 -99.200 -91.000 PHE 147 1.000 17.590 25.238 -1.080 -99.200 -91.000 PHE 148 1.000 8.532 19.850 -3.378 -99.200 -91.000 TYR 156 0.840 4.969 11.278 -4.827 -99.200 -91.000 TYR 162 0.840 -5.233 16.028 -12.605 -99.200 -91.000 TYR 177 0.840 4.686 30.212 -14.832 -99.200 -91.000 PHE 179 1.000 0.768 26.413 -14.384 -99.200 -91.000 TYR 182 0.840 6.331 15.163 -10.719 -99.200 -91.000