============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 5 0.840 40.627 87.645 -4.002 -99.200 -91.000 PHE 12 1.000 37.825 91.975 5.592 -99.200 -91.000 PHE 19 1.000 32.787 87.260 -2.357 -99.200 -91.000 TYR 23 0.840 30.238 81.563 -1.411 -99.200 -91.000 TYR 65 0.840 13.346 75.500 18.365 -99.200 -91.000 HIS 70 0.900 12.130 87.319 29.785 -99.200 -91.000 TYR 100 0.840 24.557 90.774 35.305 -99.200 -91.000 PHE 116 1.000 29.077 80.731 20.515 -99.200 -91.000 TYR 120 0.840 32.120 79.409 16.889 -99.200 -91.000 TYR 123 0.840 39.288 84.398 16.668 -99.200 -91.000 PHE 129 1.000 27.438 78.514 15.700 -99.200 -91.000 TYR 145 0.840 16.362 92.716 19.582 -99.200 -91.000 TYR 156 0.840 14.136 93.433 10.368 -99.200 -91.000 PHE 171 1.000 0.523 90.609 3.095 -99.200 -91.000 PHE 172 1.000 4.613 90.567 7.853 -99.200 -91.000 TYR 176 0.840 3.914 96.127 11.311 -99.200 -91.000 PHE 182 1.000 -1.610 88.233 20.313 -99.200 -91.000 TYR 210 0.840 0.271 84.107 22.701 -99.200 -91.000 PHE 218 1.000 6.748 80.324 23.755 -99.200 -91.000 TYR 229 0.840 -6.423 84.280 16.209 -99.200 -91.000