============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 98.733 -2.726 45.930 -99.200 -91.000 PHE 3 1.000 97.709 2.005 49.099 -99.200 -91.000 PHE 5 1.000 98.688 9.635 50.296 -99.200 -91.000 TYR 9 0.840 98.743 25.492 45.139 -99.200 -91.000 PHE 18 1.000 84.844 10.051 50.694 -99.200 -91.000 PHE 38 1.000 76.127 14.148 32.543 -99.200 -91.000 PHE 44 1.000 73.457 6.879 47.017 -99.200 -91.000 PHE 48 1.000 83.632 3.196 44.606 -99.200 -91.000 TYR 58 0.840 76.972 23.979 43.849 -99.200 -91.000 PHE 64 1.000 71.279 15.629 35.183 -99.200 -91.000 PHE 76 1.000 72.087 14.084 29.340 -99.200 -91.000 PHE 93 1.000 82.784 -0.327 40.596 -99.200 -91.000 TYR 96 0.840 80.663 -2.355 35.656 -99.200 -91.000 PHE 98 1.000 86.682 -1.468 28.553 -99.200 -91.000 PHE 101 1.000 87.352 1.931 23.202 -99.200 -91.000 TYR 111 0.840 80.700 16.229 18.410 -99.200 -91.000 TYR 113 0.840 91.390 15.841 12.011 -99.200 -91.000 PHE 119 1.000 78.294 22.426 15.004 -99.200 -91.000 TRP 130 1.040 92.766 3.434 36.302 -99.200 -91.000 TRP6 130 1.020 94.689 3.385 37.644 -99.200 -91.000 HIS 135 0.900 87.955 -6.091 48.136 -99.200 -91.000 TYR 139 0.840 83.869 -8.596 34.183 -99.200 -91.000 HIS 140 0.900 82.892 -4.097 41.014 -99.200 -91.000 PHE 147 1.000 91.558 -2.055 26.489 -99.200 -91.000 PHE 148 1.000 88.992 4.880 27.061 -99.200 -91.000 HIS 150 0.900 96.125 3.070 18.385 -99.200 -91.000 PHE 163 1.000 98.380 19.964 46.077 -99.200 -91.000 PHE 181 1.000 90.708 13.124 37.927 -99.200 -91.000 PHE 182 1.000 90.274 5.774 33.217 -99.200 -91.000 TYR 188 0.840 87.035 7.020 44.921 -99.200 -91.000 TYR 200 0.840 94.704 22.601 44.288 -99.200 -91.000 TRP 221 1.040 99.782 5.075 34.922 -99.200 -91.000 TRP6 221 1.020 101.588 4.580 33.470 -99.200 -91.000 HIS 226 0.900 101.025 6.893 46.592 -99.200 -91.000 TRP 254 1.040 103.786 9.837 26.195 -99.200 -91.000 TRP6 254 1.020 105.995 9.279 26.785 -99.200 -91.000 HIS 273 0.900 101.282 -0.948 32.443 -99.200 -91.000 PHE 281 1.000 101.053 5.779 27.530 -99.200 -91.000 PHE 294 1.000 120.560 2.558 20.142 -99.200 -91.000 TYR 307 0.840 102.143 -12.225 36.282 -99.200 -91.000 PHE 311 1.000 93.454 -7.095 39.239 -99.200 -91.000 HIS 313 0.900 87.372 -13.207 44.852 -99.200 -91.000 PHE 315 1.000 94.077 -17.978 41.553 -99.200 -91.000 PHE 318 1.000 100.012 -15.898 45.186 -99.200 -91.000 TYR 319 0.840 97.088 -9.265 37.056 -99.200 -91.000 TRP 324 1.040 108.378 -7.921 48.490 -99.200 -91.000 TRP6 324 1.020 110.460 -7.539 49.562 -99.200 -91.000 TYR 327 0.840 115.190 -5.063 45.890 -99.200 -91.000 TYR 336 0.840 122.098 -5.879 30.211 -99.200 -91.000