============================================================================= 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 16 1.000 42.507 -9.327 41.588 -99.200 -91.000 PHE 19 1.000 35.513 -5.092 36.283 -99.200 -91.000 HIS 37 0.900 52.500 1.501 35.671 -99.200 -91.000 TYR 38 0.840 45.421 1.092 35.870 -99.200 -91.000 TYR 49 0.840 43.641 -2.887 32.985 -99.200 -91.000 PHE 51 1.000 41.362 3.062 30.235 -99.200 -91.000 PHE 55 1.000 30.487 8.886 27.537 -99.200 -91.000 HIS 64 0.900 31.032 27.494 34.027 -99.200 -91.000 TYR 66 0.840 37.371 18.702 29.220 -99.200 -91.000 PHE 78 1.000 36.233 4.372 26.975 -99.200 -91.000 PHE 85 1.000 47.447 -0.077 25.587 -99.200 -91.000 HIS 94 0.900 26.558 9.954 32.982 -99.200 -91.000 HIS 97 0.900 21.342 10.949 24.206 -99.200 -91.000 PHE 114 1.000 23.754 10.473 38.757 -99.200 -91.000 PHE 139 1.000 20.148 6.498 47.564 -99.200 -91.000 PHE 152 1.000 19.732 -3.340 34.437 -99.200 -91.000 HIS 153 0.900 17.363 -11.318 36.077 -99.200 -91.000 PHE 169 1.000 28.981 4.417 60.711 -99.200 -91.000 TYR 171 0.840 24.256 14.818 59.299 -99.200 -91.000 PHE 181 1.000 31.793 -6.952 49.581 -99.200 -91.000 PHE 195 1.000 35.420 -3.054 48.500 -99.200 -91.000 HIS 199 0.900 34.500 6.152 42.521 -99.200 -91.000 PHE 221 1.000 34.993 0.591 39.114 -99.200 -91.000 HIS 225 0.900 47.609 10.532 42.085 -99.200 -91.000 HIS 231 0.900 54.953 5.572 43.006 -99.200 -91.000 PHE 236 1.000 45.890 -1.759 46.104 -99.200 -91.000