============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 40.800 18.339 19.221 -99.200 -91.000 HIS 41 0.900 49.943 17.672 14.655 -99.200 -91.000 HIS 49 0.900 54.410 25.915 4.231 -99.200 -91.000 TYR 55 0.840 50.228 40.643 -0.285 -99.200 -91.000 TYR 66 0.840 38.656 16.672 23.016 -99.200 -91.000 PHE 81 1.000 31.780 8.646 12.377 -99.200 -91.000 TRP 92 1.040 24.414 12.239 2.937 -99.200 -91.000 TRP6 92 1.020 23.467 14.400 2.860 -99.200 -91.000 HIS 111 0.900 37.447 17.351 26.374 -99.200 -91.000 PHE 120 1.000 29.261 33.350 18.106 -99.200 -91.000 HIS 136 0.900 22.237 26.588 25.106 -99.200 -91.000 HIS 138 0.900 25.589 17.190 27.414 -99.200 -91.000 TYR 160 0.840 25.891 30.751 -8.490 -99.200 -91.000 TYR 161 0.840 21.242 26.262 -7.286 -99.200 -91.000 HIS 176 0.900 15.124 36.224 5.233 -99.200 -91.000 HIS 181 0.900 21.621 22.431 6.340 -99.200 -91.000 TYR 191 0.840 9.307 36.823 4.735 -99.200 -91.000 PHE 201 1.000 13.625 41.323 -10.970 -99.200 -91.000 PHE 216 1.000 11.211 28.242 -3.766 -99.200 -91.000 HIS 230 0.900 34.227 15.737 -4.503 -99.200 -91.000 TYR 234 0.840 35.246 19.523 -0.014 -99.200 -91.000 TYR 248 0.840 32.026 36.621 18.592 -99.200 -91.000 TYR 266 0.840 9.899 32.176 13.413 -99.200 -91.000 HIS 268 0.900 7.649 25.526 17.071 -99.200 -91.000 PHE 272 1.000 20.112 26.163 20.157 -99.200 -91.000 PHE 300 1.000 10.045 28.092 12.286 -99.200 -91.000