============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 3 1.000 38.206 -7.417 173.203 -99.200 -91.000 HIS 6 0.900 37.040 -8.321 183.215 -99.200 -91.000 TYR 29 0.840 45.975 5.686 185.869 -99.200 -91.000 TYR 47 0.840 51.600 -4.434 178.564 -99.200 -91.000 PHE 79 1.000 45.713 2.964 176.980 -99.200 -91.000 HIS 84 0.900 55.225 2.428 175.575 -99.200 -91.000 PHE 87 1.000 58.843 4.075 181.126 -99.200 -91.000 PHE 119 1.000 67.029 -2.331 162.069 -99.200 -91.000 PHE 135 1.000 71.701 -6.153 160.063 -99.200 -91.000 PHE 138 1.000 70.100 -1.442 164.252 -99.200 -91.000 TYR 143 0.840 71.431 1.709 167.597 -99.200 -91.000 TYR 163 0.840 49.378 -6.163 165.470 -99.200 -91.000 TYR 178 0.840 51.098 12.281 180.079 -99.200 -91.000