============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.587 -75.672 53.198 -99.200 -91.000 PHE 11 1.000 37.526 -84.604 58.034 -99.200 -91.000 PHE 18 1.000 29.647 -76.946 58.460 -99.200 -91.000 TYR 22 0.840 23.800 -78.469 56.695 -99.200 -91.000 PHE 44 1.000 14.192-100.781 73.345 -99.200 -91.000 HIS 69 0.900 18.940-111.087 70.655 -99.200 -91.000 TYR 74 0.840 13.404 -96.325 62.990 -99.200 -91.000 HIS 83 0.900 19.206 -98.560 53.936 -99.200 -91.000 PHE 95 1.000 27.567-112.712 66.438 -99.200 -91.000 TYR 99 0.840 31.028-115.568 64.799 -99.200 -91.000 PHE 108 1.000 21.495-104.890 66.175 -99.200 -91.000 TYR 115 0.840 24.449-100.130 56.672 -99.200 -91.000 HIS 119 0.900 25.317 -95.657 54.606 -99.200 -91.000 TYR 122 0.840 32.708 -94.518 50.869 -99.200 -91.000 PHE 128 1.000 21.587 -95.164 57.372 -99.200 -91.000 PHE 134 1.000 21.405-100.055 69.003 -99.200 -91.000 HIS 143 0.900 24.443-105.632 77.320 -99.200 -91.000 TYR 145 0.840 24.970-100.527 73.247 -99.200 -91.000 TYR 153 0.840 28.321 -97.853 68.968 -99.200 -91.000 TRP 154 1.040 29.208 -92.354 73.336 -99.200 -91.000 TRP6 154 1.020 31.447 -93.116 73.294 -99.200 -91.000 TYR 156 0.840 23.192 -92.876 75.453 -99.200 -91.000 HIS 178 0.900 14.033 -88.449 92.454 -99.200 -91.000 TYR 196 0.840 0.347 -89.820 77.976 -99.200 -91.000 HIS 199 0.900 1.853 -84.865 72.578 -99.200 -91.000 PHE 207 1.000 0.940 -88.756 73.287 -99.200 -91.000 TRP 213 1.040 7.691-105.695 78.161 -99.200 -91.000 TRP6 213 1.020 7.223-105.824 80.479 -99.200 -91.000 HIS 223 0.900 10.820-105.944 70.802 -99.200 -91.000 PHE 225 1.000 5.955-104.117 69.201 -99.200 -91.000 PHE 237 1.000 3.128 -93.732 86.957 -99.200 -91.000