============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 -23.315 48.491 54.962 -99.200 -91.000 PHE 29 1.000 -18.957 53.370 55.197 -99.200 -91.000 TYR 32 0.840 -25.628 49.608 59.671 -99.200 -91.000 TYR 33 0.840 -21.287 53.147 66.802 -99.200 -91.000 TRP 36 1.040 -10.601 48.287 60.127 -99.200 -91.000 TRP6 36 1.020 -10.172 46.990 58.196 -99.200 -91.000 TRP 47 1.040 -13.316 45.874 68.394 -99.200 -91.000 TRP6 47 1.020 -12.566 47.715 69.664 -99.200 -91.000 PHE 50 1.000 -16.259 51.597 68.493 -99.200 -91.000 TYR 58 0.840 -18.941 59.910 59.804 -99.200 -91.000 TYR 62 0.840 -7.812 53.942 67.120 -99.200 -91.000 PHE 70 1.000 -2.077 48.013 63.723 -99.200 -91.000 TYR 82 0.840 -9.643 54.081 53.010 -99.200 -91.000 TYR 96 0.840 -4.613 42.771 60.547 -99.200 -91.000 TYR 97 0.840 -11.742 37.687 59.213 -99.200 -91.000 TYR 106 0.840 -33.110 56.079 59.504 -99.200 -91.000 TYR 109 0.840 -28.421 49.657 69.332 -99.200 -91.000 PHE 112 1.000 -18.506 43.607 65.730 -99.200 -91.000 TYR 114 0.840 -25.046 41.686 56.598 -99.200 -91.000 TRP 115 1.040 -18.227 39.258 61.072 -99.200 -91.000 TRP6 115 1.020 -16.433 39.314 62.599 -99.200 -91.000 TYR 134 0.840 7.984 19.611 42.352 -99.200 -91.000 TYR 152 0.840 2.664 28.180 49.520 -99.200 -91.000 PHE 153 1.000 7.380 33.928 53.887 -99.200 -91.000 TRP 161 1.040 -8.066 19.428 42.691 -99.200 -91.000 TRP6 161 1.020 -6.376 18.311 41.483 -99.200 -91.000 TYR 163 0.840 -9.988 25.754 34.112 -99.200 -91.000 PHE 181 1.000 11.665 29.026 50.505 -99.200 -91.000 TYR 182 0.840 3.954 29.272 55.309 -99.200 -91.000 TRP 195 1.040 -6.061 10.957 35.389 -99.200 -91.000 TRP6 195 1.020 -4.322 9.608 36.244 -99.200 -91.000 HIS 206 0.900 2.371 32.697 46.589 -99.200 -91.000