============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -143.062 157.487 -14.004 -99.200 -91.000 TYR 12 0.840 -135.695 159.259 -6.732 -99.200 -91.000 PHE 13 1.000 -137.720 155.068 -12.473 -99.200 -91.000 TRP 16 1.040 -131.423 150.465 -6.152 -99.200 -91.000 TRP6 16 1.020 -131.572 150.460 -3.794 -99.200 -91.000 PHE 24 1.000 -140.596 146.269 -2.890 -99.200 -91.000 HIS 26 0.900 -144.656 156.404 -1.073 -99.200 -91.000 TRP 28 1.040 -151.140 160.390 4.063 -99.200 -91.000 TRP6 28 1.020 -151.808 160.967 6.254 -99.200 -91.000 TRP 35 1.040 -141.575 150.343 -0.559 -99.200 -91.000 TRP6 35 1.020 -142.876 148.671 0.486 -99.200 -91.000 TYR 37 0.840 -133.203 149.038 6.449 -99.200 -91.000 TYR 41 0.840 -134.016 139.109 2.518 -99.200 -91.000 TYR 47 0.840 -136.568 137.220 -6.677 -99.200 -91.000 PHE 52 1.000 -144.911 154.430 -7.182 -99.200 -91.000 PHE 57 1.000 -147.404 161.949 -0.374 -99.200 -91.000 TRP 64 1.040 -154.746 172.643 -6.909 -99.200 -91.000 TRP6 64 1.020 -154.590 173.284 -4.640 -99.200 -91.000 TYR 69 0.840 -156.103 155.122 -3.428 -99.200 -91.000 PHE 72 1.000 -152.453 159.035 -5.732 -99.200 -91.000 HIS 82 0.900 -139.353 155.376 -18.412 -99.200 -91.000 PHE 93 1.000 -147.141 150.226 5.368 -99.200 -91.000 TYR 103 0.840 -150.895 148.187 -13.412 -99.200 -91.000 HIS 107 0.900 -153.765 151.216 -16.608 -99.200 -91.000 PHE 125 1.000 -158.212 153.648 6.770 -99.200 -91.000 TYR 131 0.840 -166.596 147.538 5.445 -99.200 -91.000 PHE 140 1.000 -160.253 158.081 7.542 -99.200 -91.000 PHE 143 1.000 -156.104 160.763 10.656 -99.200 -91.000 PHE 154 1.000 -151.760 163.963 11.378 -99.200 -91.000 PHE 158 1.000 -150.152 158.568 11.272 -99.200 -91.000 PHE 162 1.000 -146.206 154.255 10.078 -99.200 -91.000 TYR 163 0.840 -142.395 153.725 12.818 -99.200 -91.000 PHE 198 1.000 -155.552 158.050 3.917 -99.200 -91.000 PHE 203 1.000 -158.861 151.203 -3.104 -99.200 -91.000 HIS 218 0.900 -153.775 144.871 7.935 -99.200 -91.000 PHE 227 1.000 -156.484 140.652 10.585 -99.200 -91.000 TYR 246 0.840 -145.576 139.625 9.537 -99.200 -91.000 HIS 251 0.900 -150.399 151.097 8.775 -99.200 -91.000 PHE 253 1.000 -146.528 144.522 8.254 -99.200 -91.000 HIS 257 0.900 -143.363 142.523 13.769 -99.200 -91.000 PHE 268 1.000 -146.711 136.206 -3.500 -99.200 -91.000