============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 4 0.840 13.461 37.264 17.132 -99.200 -91.000 PHE 5 1.000 3.131 34.900 14.474 -99.200 -91.000 TYR 31 0.840 19.483 35.607 23.578 -99.200 -91.000 TYR 36 0.840 1.929 33.145 24.456 -99.200 -91.000 TYR 68 0.840 -0.292 22.432 26.970 -99.200 -91.000 TYR 74 0.840 -7.774 31.747 24.498 -99.200 -91.000 PHE 76 1.000 -10.260 26.701 21.027 -99.200 -91.000 HIS 83 0.900 -13.159 30.913 11.503 -99.200 -91.000 TRP 111 1.040 15.917 34.662 21.511 -99.200 -91.000 TRP6 111 1.020 14.732 33.070 20.233 -99.200 -91.000 TRP 120 1.040 -0.172 37.730 7.920 -99.200 -91.000 TRP6 120 1.020 1.414 38.182 9.611 -99.200 -91.000 PHE 121 1.000 -4.153 38.243 5.881 -99.200 -91.000 PHE 128 1.000 -7.861 40.053 17.032 -99.200 -91.000 PHE 130 1.000 -1.792 34.047 16.265 -99.200 -91.000 TRP 133 1.040 -2.142 38.982 19.965 -99.200 -91.000 TRP6 133 1.020 -0.192 37.697 20.025 -99.200 -91.000 HIS 154 0.900 1.686 28.682 -1.169 -99.200 -91.000 HIS 164 0.900 -0.327 46.966 2.722 -99.200 -91.000 TRP 172 1.040 14.841 33.331 3.819 -99.200 -91.000 TRP6 172 1.020 14.893 31.281 2.671 -99.200 -91.000 HIS 184 0.900 17.358 21.753 -1.550 -99.200 -91.000 TYR 187 0.840 12.274 25.271 -7.105 -99.200 -91.000 TRP 205 1.040 13.098 14.082 4.418 -99.200 -91.000 TRP6 205 1.020 13.910 11.873 4.138 -99.200 -91.000 TYR 218 0.840 21.134 21.139 10.770 -99.200 -91.000