============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 14 1.040 2.837 11.977 64.525 -99.200 -91.000 TRP6 14 1.020 2.955 9.653 64.954 -99.200 -91.000 PHE 19 1.000 -2.983 29.278 71.130 -99.200 -91.000 TRP 37 1.040 16.100 19.051 68.911 -99.200 -91.000 TRP6 37 1.020 16.771 21.118 67.960 -99.200 -91.000 HIS 43 0.900 3.803 28.852 54.917 -99.200 -91.000 TYR 47 0.840 4.927 34.214 52.623 -99.200 -91.000 TRP 49 1.040 0.488 36.264 53.681 -99.200 -91.000 TRP6 49 1.020 0.306 33.952 54.161 -99.200 -91.000 PHE 53 1.000 4.089 35.178 64.258 -99.200 -91.000 HIS 65 0.900 -9.811 14.676 69.556 -99.200 -91.000 TYR 70 0.840 -5.141 23.735 79.616 -99.200 -91.000 TYR 84 0.840 18.804 26.083 65.640 -99.200 -91.000 HIS 86 0.900 17.924 24.906 54.188 -99.200 -91.000 TYR 89 0.840 11.166 30.347 53.874 -99.200 -91.000 TRP 91 1.040 11.493 35.162 52.215 -99.200 -91.000 TRP6 91 1.020 10.951 37.323 51.424 -99.200 -91.000 TYR 113 0.840 -3.808 11.049 75.936 -99.200 -91.000 HIS 115 0.900 6.047 7.567 71.336 -99.200 -91.000 HIS 129 0.900 6.122 3.228 42.966 -99.200 -91.000 PHE 132 1.000 3.539 2.034 47.465 -99.200 -91.000 TRP 139 1.040 -6.416 20.844 65.747 -99.200 -91.000 TRP6 139 1.020 -4.112 20.584 66.233 -99.200 -91.000 TRP 146 1.040 -15.319 32.845 55.072 -99.200 -91.000 TRP6 146 1.020 -13.030 32.271 54.959 -99.200 -91.000 PHE 183 1.000 6.037 14.520 49.482 -99.200 -91.000 TYR 187 0.840 -7.890 10.402 46.506 -99.200 -91.000 PHE 206 1.000 1.885 12.572 52.523 -99.200 -91.000 TYR 212 0.840 8.994 -2.719 53.587 -99.200 -91.000 TRP 216 1.040 1.775 5.446 62.125 -99.200 -91.000 TRP6 216 1.020 0.336 6.091 60.367 -99.200 -91.000 TYR 217 0.840 10.000 5.167 59.265 -99.200 -91.000 TRP 224 1.040 4.016 25.172 47.265 -99.200 -91.000 TRP6 224 1.020 3.071 25.286 45.085 -99.200 -91.000 TYR 234 0.840 -2.407 16.475 41.431 -99.200 -91.000 PHE 236 1.000 3.098 20.833 44.109 -99.200 -91.000 TYR 237 0.840 1.497 17.421 51.404 -99.200 -91.000 HIS 239 0.900 11.679 14.191 49.144 -99.200 -91.000 PHE 241 1.000 16.042 10.192 52.610 -99.200 -91.000 TRP 246 1.040 19.068 22.792 57.578 -99.200 -91.000 TRP6 246 1.020 16.953 22.591 58.622 -99.200 -91.000