============================================================================= 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. PHE 27 1.000 17.057 120.453 62.797 -99.200 -91.000 PHE 29 1.000 15.125 126.073 61.033 -99.200 -91.000 TYR 32 0.840 14.136 117.397 59.638 -99.200 -91.000 TRP 33 1.040 6.176 119.930 57.706 -99.200 -91.000 TRP6 33 1.020 4.047 120.964 57.552 -99.200 -91.000 TRP 36 1.040 7.167 128.484 67.976 -99.200 -91.000 TRP6 36 1.020 8.876 129.017 69.518 -99.200 -91.000 TRP 47 1.040 0.414 121.533 67.608 -99.200 -91.000 TRP6 47 1.020 -0.997 122.526 65.987 -99.200 -91.000 TYR 60 0.840 -0.750 130.497 63.480 -99.200 -91.000 PHE 68 1.000 -0.262 132.996 71.172 -99.200 -91.000 TYR 80 0.840 12.807 134.532 63.954 -99.200 -91.000 TYR 94 0.840 4.588 130.519 75.470 -99.200 -91.000 TYR 95 0.840 8.561 123.018 76.930 -99.200 -91.000 PHE 101 1.000 3.939 116.655 57.249 -99.200 -91.000 TYR 104 0.840 5.679 105.484 50.890 -99.200 -91.000 HIS 106 0.900 -1.400 109.590 56.085 -99.200 -91.000 TYR 107 0.840 7.214 108.194 62.308 -99.200 -91.000 TYR 111 0.840 16.170 114.771 68.019 -99.200 -91.000 TRP 112 1.040 9.635 117.565 72.266 -99.200 -91.000 TRP6 112 1.020 7.551 118.439 72.981 -99.200 -91.000 PHE 131 1.000 16.518 135.111 104.110 -99.200 -91.000 TYR 154 0.840 12.107 132.971 93.139 -99.200 -91.000 PHE 155 1.000 5.872 137.859 89.556 -99.200 -91.000 TRP 163 1.040 24.136 123.639 96.251 -99.200 -91.000 TRP6 163 1.020 24.294 124.586 98.412 -99.200 -91.000 HIS 173 0.900 17.691 115.246 96.333 -99.200 -91.000 PHE 175 1.000 13.304 119.681 98.043 -99.200 -91.000 TYR 185 0.840 6.336 132.093 91.373 -99.200 -91.000 TYR 203 0.840 30.464 121.817 101.852 -99.200 -91.000 HIS 209 0.900 14.484 136.671 89.747 -99.200 -91.000