============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 37.206 25.770 5.633 -99.200 -91.000 TYR 30 0.840 47.294 3.752 0.973 -99.200 -91.000 TYR 36 0.840 37.129 3.049 9.387 -99.200 -91.000 TYR 37 0.840 44.324 5.492 10.074 -99.200 -91.000 PHE 62 1.000 32.937 12.166 12.607 -99.200 -91.000 TRP 72 1.040 32.782 -2.415 12.512 -99.200 -91.000 TRP6 72 1.020 33.516 -0.209 12.211 -99.200 -91.000 TYR 78 0.840 27.594 8.365 16.800 -99.200 -91.000 PHE 91 1.000 37.555 14.254 29.975 -99.200 -91.000 PHE 97 1.000 30.297 7.317 26.932 -99.200 -91.000 TYR 112 0.840 48.727 8.203 19.871 -99.200 -91.000 TYR 113 0.840 51.794 0.675 12.926 -99.200 -91.000 HIS 115 0.900 57.002 -5.058 19.120 -99.200 -91.000 PHE 117 1.000 49.347 2.813 20.648 -99.200 -91.000 HIS 118 0.900 48.817 -6.143 22.789 -99.200 -91.000 PHE 134 1.000 50.435 6.870 27.113 -99.200 -91.000 TYR 136 0.840 56.707 10.525 19.332 -99.200 -91.000 HIS 137 0.900 63.338 14.852 21.186 -99.200 -91.000 TYR 144 0.840 53.236 19.104 18.939 -99.200 -91.000 PHE 149 1.000 59.679 14.014 31.222 -99.200 -91.000 TYR 169 0.840 61.139 13.799 25.808 -99.200 -91.000 TYR 175 0.840 45.057 14.017 26.428 -99.200 -91.000 PHE 176 1.000 44.535 5.059 28.538 -99.200 -91.000 TYR 177 0.840 42.126 12.622 31.859 -99.200 -91.000 TYR 205 0.840 43.645 13.465 37.156 -99.200 -91.000 TYR 220 0.840 55.303 2.819 20.950 -99.200 -91.000 TRP 222 1.040 51.181 11.710 18.697 -99.200 -91.000 TRP6 222 1.020 51.917 13.874 19.237 -99.200 -91.000 HIS 228 0.900 45.620 21.937 3.477 -99.200 -91.000 PHE 237 1.000 54.817 5.873 9.629 -99.200 -91.000 TYR 257 0.840 38.191 -13.312 13.321 -99.200 -91.000 TRP 261 1.040 35.935 -6.953 21.912 -99.200 -91.000 TRP6 261 1.020 36.881 -4.800 21.758 -99.200 -91.000 TYR 279 0.840 38.831 -1.886 5.021 -99.200 -91.000 TYR 282 0.840 43.726 -6.847 5.895 -99.200 -91.000 TYR 292 0.840 52.289 -16.928 13.857 -99.200 -91.000