============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 17 1.000 38.195 9.641 81.634 -99.200 -91.000 HIS 19 0.900 30.264 3.116 84.316 -99.200 -91.000 PHE 20 1.000 35.964 5.376 78.074 -99.200 -91.000 TYR 25 0.840 41.943 3.800 77.860 -99.200 -91.000 TYR 32 0.840 39.177 1.850 74.510 -99.200 -91.000 PHE 43 1.000 28.807 1.122 59.517 -99.200 -91.000 PHE 46 1.000 26.204 14.260 57.950 -99.200 -91.000 HIS 57 0.900 24.081 5.300 74.856 -99.200 -91.000 PHE 61 1.000 27.354 2.728 64.315 -99.200 -91.000 PHE 67 1.000 34.658 11.888 60.923 -99.200 -91.000 TYR 79 0.840 31.414 21.845 47.090 -99.200 -91.000 TYR 84 0.840 24.615 25.355 54.156 -99.200 -91.000 TYR 93 0.840 39.835 13.721 58.970 -99.200 -91.000 HIS 97 0.900 41.794 14.074 54.041 -99.200 -91.000 HIS 108 0.900 14.925 12.378 66.602 -99.200 -91.000 PHE 120 1.000 10.444 28.276 63.344 -99.200 -91.000 PHE 122 1.000 11.373 27.932 57.047 -99.200 -91.000 TYR 126 0.840 14.476 33.204 58.719 -99.200 -91.000 PHE 130 1.000 23.003 31.873 65.006 -99.200 -91.000 TRP 134 1.040 20.758 23.205 60.783 -99.200 -91.000 TRP6 134 1.020 22.743 22.952 59.490 -99.200 -91.000 HIS 149 0.900 1.738 11.613 52.710 -99.200 -91.000 PHE 154 1.000 2.805 19.857 63.667 -99.200 -91.000 HIS 160 0.900 3.748 10.661 55.861 -99.200 -91.000 TYR 176 0.840 28.752 18.039 50.205 -99.200 -91.000 PHE 178 1.000 34.128 15.938 49.046 -99.200 -91.000 TYR 194 0.840 11.446 7.778 61.581 -99.200 -91.000 TYR 195 0.840 15.702 5.493 68.357 -99.200 -91.000 PHE 197 1.000 12.450 9.615 70.699 -99.200 -91.000 PHE 202 1.000 17.918 2.423 62.526 -99.200 -91.000 TRP 205 1.040 15.835 5.312 53.242 -99.200 -91.000 TRP6 205 1.020 14.930 5.786 55.377 -99.200 -91.000 PHE 209 1.000 25.608 6.522 41.534 -99.200 -91.000 PHE 215 1.000 19.655 -3.758 23.895 -99.200 -91.000