============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 2 1.000 14.399 20.239 4.426 -99.200 -91.000 PHE 7 1.000 14.800 15.850 0.512 -99.200 -91.000 PHE 18 1.000 -4.569 7.729 0.130 -99.200 -91.000 TYR 22 0.840 9.745 7.152 -4.822 -99.200 -91.000 PHE 31 1.000 20.170 11.944 8.413 -99.200 -91.000 PHE 39 1.000 1.267 11.265 -7.021 -99.200 -91.000 HIS 50 0.900 -9.838 17.989 8.297 -99.200 -91.000 HIS 61 0.900 3.547 17.962 16.949 -99.200 -91.000 HIS 64 0.900 10.876 5.436 22.589 -99.200 -91.000 TYR 71 0.840 14.763 12.199 9.970 -99.200 -91.000 TYR 73 0.840 4.853 18.442 8.140 -99.200 -91.000 PHE 74 1.000 9.713 18.136 0.547 -99.200 -91.000 HIS 75 0.900 2.341 22.490 0.323 -99.200 -91.000 TYR 81 0.840 7.361 15.769 -2.659 -99.200 -91.000 PHE 86 1.000 16.890 2.996 4.502 -99.200 -91.000 TYR 93 0.840 5.070 -7.800 5.636 -99.200 -91.000 HIS 99 0.900 14.520 -15.540 10.541 -99.200 -91.000 PHE 102 1.000 10.633 -12.368 14.449 -99.200 -91.000 PHE 110 1.000 11.761 -7.605 16.946 -99.200 -91.000 HIS 119 0.900 5.981 4.856 30.333 -99.200 -91.000 TYR 120 0.840 8.066 9.784 23.387 -99.200 -91.000 HIS 122 0.900 -0.474 3.632 26.113 -99.200 -91.000 HIS 128 0.900 0.086 1.985 16.664 -99.200 -91.000 TYR 140 0.840 24.056 -0.609 11.176 -99.200 -91.000 PHE 149 1.000 2.716 6.511 15.683 -99.200 -91.000 TRP 151 1.040 -6.962 1.411 12.229 -99.200 -91.000 TRP6 151 1.020 -9.068 2.364 11.715 -99.200 -91.000 HIS 154 0.900 -3.797 14.624 22.436 -99.200 -91.000 TYR 168 0.840 -2.087 -8.379 16.225 -99.200 -91.000 HIS 179 0.900 -11.303 2.177 21.967 -99.200 -91.000 TRP 186 1.040 -6.413 -7.991 23.109 -99.200 -91.000 TRP6 186 1.020 -7.356 -9.666 24.491 -99.200 -91.000 TYR 193 0.840 -0.293 -17.384 20.753 -99.200 -91.000 PHE 195 1.000 6.983 -9.505 17.777 -99.200 -91.000 PHE 202 1.000 -7.229 -14.701 21.479 -99.200 -91.000 HIS 207 0.900 -14.324 -10.706 9.940 -99.200 -91.000 HIS 211 0.900 -15.639 -10.316 15.816 -99.200 -91.000 PHE 221 1.000 -0.285 -19.230 26.647 -99.200 -91.000 PHE 224 1.000 6.310 -23.354 19.792 -99.200 -91.000 TYR 239 0.840 -14.207 -9.872 29.306 -99.200 -91.000 HIS 240 0.900 -13.014 -8.200 33.937 -99.200 -91.000 HIS 253 0.900 7.180 -11.409 32.653 -99.200 -91.000 TRP 255 1.040 10.358 -14.700 28.137 -99.200 -91.000 TRP6 255 1.020 9.636 -13.269 26.396 -99.200 -91.000 TYR 268 0.840 24.558 16.718 17.670 -99.200 -91.000