============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 4 1.000 -8.079 33.783 -2.411 -99.200 -91.000 TYR 15 0.840 -9.849 26.250 15.043 -99.200 -91.000 TYR 19 0.840 -5.205 22.820 0.237 -99.200 -91.000 HIS 51 0.900 2.931 44.072 16.917 -99.200 -91.000 HIS 62 0.900 -20.344 31.719 6.487 -99.200 -91.000 TYR 68 0.840 -13.704 28.204 1.957 -99.200 -91.000 PHE 71 1.000 -5.142 33.752 9.091 -99.200 -91.000 PHE 73 1.000 3.443 30.808 2.154 -99.200 -91.000 HIS 75 0.900 8.211 31.738 1.595 -99.200 -91.000 PHE 81 1.000 15.480 28.604 12.657 -99.200 -91.000 TYR 98 0.840 13.295 33.621 15.567 -99.200 -91.000 PHE 100 1.000 12.614 43.372 22.282 -99.200 -91.000 PHE 108 1.000 -1.903 45.371 18.258 -99.200 -91.000 HIS 110 0.900 -1.448 38.802 26.095 -99.200 -91.000 HIS 112 0.900 -5.896 46.678 20.711 -99.200 -91.000 HIS 116 0.900 -2.552 31.531 19.549 -99.200 -91.000 PHE 137 1.000 -2.729 36.678 19.916 -99.200 -91.000 PHE 143 1.000 -13.254 29.990 14.021 -99.200 -91.000 TYR 150 0.840 -8.646 19.116 9.278 -99.200 -91.000 HIS 152 0.900 -11.165 12.300 13.365 -99.200 -91.000 TRP 158 1.040 3.637 18.007 24.537 -99.200 -91.000 TRP6 158 1.020 5.305 17.650 22.880 -99.200 -91.000 TYR 159 0.840 4.351 23.910 23.372 -99.200 -91.000 TYR 169 0.840 -15.659 32.924 33.955 -99.200 -91.000 TYR 170 0.840 -8.846 30.027 29.791 -99.200 -91.000 TRP 177 1.040 2.490 27.433 31.338 -99.200 -91.000 TRP6 177 1.020 3.203 27.211 33.570 -99.200 -91.000 PHE 183 1.000 13.729 32.280 27.311 -99.200 -91.000 PHE 193 1.000 6.824 22.205 32.437 -99.200 -91.000 PHE 203 1.000 -0.069 13.984 38.919 -99.200 -91.000 PHE 206 1.000 0.774 19.790 39.833 -99.200 -91.000 TRP 217 1.040 -2.537 29.729 41.755 -99.200 -91.000 TRP6 217 1.020 -2.444 28.144 39.993 -99.200 -91.000 TYR 226 0.840 -5.285 21.159 44.973 -99.200 -91.000 PHE 230 1.000 -3.717 17.605 41.605 -99.200 -91.000 TRP 233 1.040 6.600 14.636 42.263 -99.200 -91.000 TRP6 233 1.020 4.474 14.373 41.263 -99.200 -91.000 PHE 238 1.000 12.867 28.044 36.427 -99.200 -91.000 HIS 258 0.900 6.643 34.007 39.458 -99.200 -91.000 TYR 259 0.840 2.949 25.925 39.908 -99.200 -91.000 HIS 273 0.900 14.326 39.826 33.058 -99.200 -91.000 PHE 275 1.000 17.151 36.489 27.729 -99.200 -91.000 PHE 276 1.000 13.533 40.092 26.083 -99.200 -91.000 HIS 285 0.900 21.684 28.998 5.678 -99.200 -91.000