============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 40 1.000 15.298 63.938 38.508 -99.200 -91.000 PHE 62 1.000 16.884 40.693 27.039 -99.200 -91.000 TYR 65 0.840 12.505 39.255 22.698 -99.200 -91.000 TYR 68 0.840 4.897 38.118 25.400 -99.200 -91.000 TYR 76 0.840 7.833 29.642 14.426 -99.200 -91.000 TYR 81 0.840 11.641 28.433 11.308 -99.200 -91.000 PHE 90 1.000 13.268 33.185 18.618 -99.200 -91.000 PHE 95 1.000 22.563 41.999 17.635 -99.200 -91.000 PHE 102 1.000 18.515 54.098 25.860 -99.200 -91.000 PHE 106 1.000 15.958 60.256 25.480 -99.200 -91.000 PHE 113 1.000 11.942 64.737 33.354 -99.200 -91.000 TYR 117 0.840 8.794 62.508 21.601 -99.200 -91.000 HIS 119 0.900 11.956 57.544 16.981 -99.200 -91.000 TYR 126 0.840 23.218 65.356 -0.481 -99.200 -91.000 TYR 128 0.840 21.143 66.117 -5.104 -99.200 -91.000 PHE 137 1.000 13.901 60.094 20.975 -99.200 -91.000 PHE 145 1.000 18.191 70.949 12.473 -99.200 -91.000 TRP 165 1.040 32.780 55.557 19.262 -99.200 -91.000 TRP6 165 1.020 34.174 57.267 18.473 -99.200 -91.000 PHE 179 1.000 20.305 71.433 8.120 -99.200 -91.000 PHE 185 1.000 24.481 64.556 16.344 -99.200 -91.000 TRP 186 1.040 22.879 68.170 23.260 -99.200 -91.000 TRP6 186 1.020 21.308 68.655 24.952 -99.200 -91.000 PHE 187 1.000 26.623 58.444 21.436 -99.200 -91.000 PHE 190 1.000 20.395 53.159 29.810 -99.200 -91.000 PHE 194 1.000 30.489 56.833 25.626 -99.200 -91.000 TYR 197 0.840 39.679 57.779 20.188 -99.200 -91.000 TYR 210 0.840 23.330 64.397 27.887 -99.200 -91.000 TYR 216 0.840 29.424 62.058 35.199 -99.200 -91.000 PHE 231 1.000 42.250 65.158 28.721 -99.200 -91.000 TYR 236 0.840 38.171 67.045 25.775 -99.200 -91.000 PHE 243 1.000 18.909 58.048 30.039 -99.200 -91.000 PHE 247 1.000 15.264 62.261 30.307 -99.200 -91.000 PHE 253 1.000 18.732 73.978 23.080 -99.200 -91.000 HIS 257 0.900 19.043 77.684 22.779 -99.200 -91.000