============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 37 0.840 12.274 8.676 48.443 -99.200 -91.000 TRP 40 1.040 14.247 16.547 36.750 -99.200 -91.000 TRP6 40 1.020 12.797 18.068 35.851 -99.200 -91.000 TYR 41 0.840 12.210 8.568 34.792 -99.200 -91.000 TYR 54 0.840 19.732 8.129 41.167 -99.200 -91.000 TRP 55 1.040 17.475 9.380 46.077 -99.200 -91.000 TRP6 55 1.020 19.360 8.348 46.989 -99.200 -91.000 PHE 67 1.000 20.931 16.266 29.914 -99.200 -91.000 PHE 76 1.000 11.881 18.865 43.778 -99.200 -91.000 TYR 91 0.840 14.937 16.895 28.091 -99.200 -91.000 TYR 92 0.840 7.125 13.083 29.852 -99.200 -91.000 TYR 97 0.840 7.376 11.991 50.561 -99.200 -91.000 PHE 103 1.000 5.961 8.904 34.949 -99.200 -91.000 PHE 123 1.000 8.279 13.653 -6.217 -99.200 -91.000 PHE 140 1.000 7.812 13.544 -0.333 -99.200 -91.000 PHE 144 1.000 9.448 23.233 7.032 -99.200 -91.000 TYR 145 0.840 14.621 26.754 13.198 -99.200 -91.000 TRP 153 1.040 -1.764 20.193 -2.821 -99.200 -91.000 TRP6 153 1.020 -0.163 19.570 -4.490 -99.200 -91.000 TRP 168 1.040 3.062 19.839 9.448 -99.200 -91.000 TRP6 168 1.020 0.763 19.124 9.504 -99.200 -91.000 TYR 178 0.840 10.741 21.666 13.535 -99.200 -91.000 TYR 191 0.840 -3.967 13.067 -12.948 -99.200 -91.000 HIS 194 0.900 -8.017 21.957 -14.005 -99.200 -91.000 TYR 197 0.840 -3.671 18.139 -11.390 -99.200 -91.000 HIS 203 0.900 10.227 28.678 6.214 -99.200 -91.000 PHE 214 1.000 1.386 16.973 -12.093 -99.200 -91.000