============================================================================= 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 33.826-224.637 39.636 -99.200 -91.000 PHE 11 1.000 31.878-216.657 46.080 -99.200 -91.000 PHE 18 1.000 40.004-224.277 44.958 -99.200 -91.000 TYR 22 0.840 45.638-222.325 43.237 -99.200 -91.000 PHE 44 1.000 55.789-203.472 63.378 -99.200 -91.000 HIS 69 0.900 50.862-192.664 62.566 -99.200 -91.000 TYR 74 0.840 56.230-205.905 52.439 -99.200 -91.000 HIS 83 0.900 50.346-201.812 43.912 -99.200 -91.000 PHE 95 1.000 42.031-190.517 59.115 -99.200 -91.000 TYR 99 0.840 38.732-187.371 58.107 -99.200 -91.000 PHE 108 1.000 48.164-198.225 57.329 -99.200 -91.000 TYR 115 0.840 45.039-201.175 47.109 -99.200 -91.000 HIS 119 0.900 44.081-205.094 44.350 -99.200 -91.000 TYR 122 0.840 36.437-205.593 40.657 -99.200 -91.000 PHE 128 1.000 47.831-206.024 46.865 -99.200 -91.000 PHE 134 1.000 48.547-203.274 59.296 -99.200 -91.000 HIS 143 0.900 45.720-199.531 68.511 -99.200 -91.000 TYR 145 0.840 44.904-203.790 63.567 -99.200 -91.000 TYR 153 0.840 41.386-205.497 59.047 -99.200 -91.000 TRP 154 1.040 40.796-211.842 62.205 -99.200 -91.000 TRP6 154 1.020 38.528-211.205 62.461 -99.200 -91.000 TYR 156 0.840 46.725-211.647 64.461 -99.200 -91.000 HIS 178 0.900 56.399-219.106 80.012 -99.200 -91.000 TYR 196 0.840 70.007-215.050 65.739 -99.200 -91.000 HIS 199 0.900 68.023-218.692 59.346 -99.200 -91.000 PHE 207 1.000 69.241-215.159 60.743 -99.200 -91.000 TRP 213 1.040 62.567-199.311 68.863 -99.200 -91.000 TRP6 213 1.020 63.194-199.476 71.136 -99.200 -91.000 HIS 223 0.900 59.139-197.877 61.773 -99.200 -91.000 PHE 225 1.000 64.075-199.447 59.677 -99.200 -91.000 PHE 237 1.000 67.214-212.786 75.245 -99.200 -91.000