============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 24 0.840 53.146 10.906 48.700 -99.200 -91.000 TYR 32 0.840 42.399 36.385 46.354 -99.200 -91.000 PHE 46 1.000 47.760 25.081 54.631 -99.200 -91.000 PHE 50 1.000 50.594 21.187 56.769 -99.200 -91.000 PHE 58 1.000 46.326 35.788 47.696 -99.200 -91.000 PHE 75 1.000 55.334 39.225 48.047 -99.200 -91.000 HIS 85 0.900 45.042 37.105 35.527 -99.200 -91.000 PHE 87 1.000 43.634 40.480 32.650 -99.200 -91.000 PHE 108 1.000 56.116 31.212 40.585 -99.200 -91.000 HIS 115 0.900 39.925 29.846 31.753 -99.200 -91.000 PHE 121 1.000 37.932 38.607 25.324 -99.200 -91.000 TYR 141 0.840 58.103 34.088 32.710 -99.200 -91.000 PHE 163 1.000 60.023 26.714 39.435 -99.200 -91.000 PHE 182 1.000 57.249 21.115 25.763 -99.200 -91.000 TYR 193 0.840 40.891 20.428 46.061 -99.200 -91.000