============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 33.442-224.611 39.650 -99.200 -91.000 PHE 11 1.000 31.632-216.528 46.132 -99.200 -91.000 PHE 18 1.000 39.563-224.317 45.127 -99.200 -91.000 TYR 22 0.840 45.180-222.535 43.392 -99.200 -91.000 PHE 44 1.000 55.467-203.722 63.506 -99.200 -91.000 HIS 69 0.900 50.702-193.246 62.925 -99.200 -91.000 TYR 74 0.840 55.981-206.321 52.544 -99.200 -91.000 HIS 83 0.900 49.836-202.374 44.349 -99.200 -91.000 PHE 95 1.000 42.050-190.582 59.484 -99.200 -91.000 TYR 99 0.840 38.807-187.439 58.296 -99.200 -91.000 PHE 108 1.000 47.960-198.369 57.459 -99.200 -91.000 TYR 115 0.840 44.766-201.183 47.074 -99.200 -91.000 HIS 119 0.900 43.882-205.159 44.425 -99.200 -91.000 TYR 122 0.840 36.344-205.595 40.669 -99.200 -91.000 PHE 128 1.000 47.528-206.322 47.029 -99.200 -91.000 PHE 134 1.000 48.208-203.613 59.294 -99.200 -91.000 HIS 143 0.900 45.517-199.667 68.490 -99.200 -91.000 TYR 145 0.840 44.628-204.040 63.584 -99.200 -91.000 TYR 153 0.840 41.130-205.718 59.145 -99.200 -91.000 TRP 154 1.040 40.420-212.018 62.353 -99.200 -91.000 TRP6 154 1.020 38.158-211.330 62.525 -99.200 -91.000 TYR 156 0.840 46.398-211.892 64.435 -99.200 -91.000 HIS 178 0.900 55.343-219.549 80.047 -99.200 -91.000 TYR 196 0.840 69.431-215.398 65.748 -99.200 -91.000 HIS 199 0.900 67.558-219.325 59.419 -99.200 -91.000 PHE 207 1.000 68.739-215.637 60.749 -99.200 -91.000 TRP 213 1.040 62.100-199.818 68.943 -99.200 -91.000 TRP6 213 1.020 62.642-199.943 71.247 -99.200 -91.000 HIS 223 0.900 58.837-198.363 61.973 -99.200 -91.000 PHE 225 1.000 63.570-199.690 59.756 -99.200 -91.000 PHE 237 1.000 66.783-213.022 75.361 -99.200 -91.000