============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 23 1.000 26.293 38.922 26.227 -99.200 -91.000 PHE 31 1.000 30.460 35.840 25.711 -99.200 -91.000 PHE 62 1.000 35.306 45.915 18.496 -99.200 -91.000 HIS 71 0.900 27.434 55.534 9.175 -99.200 -91.000 TYR 79 0.840 22.536 37.966 12.273 -99.200 -91.000 TYR 87 0.840 20.334 31.874 -7.790 -99.200 -91.000 TYR 95 0.840 26.495 33.266 -2.408 -99.200 -91.000 PHE 98 1.000 24.049 38.451 -6.875 -99.200 -91.000 PHE 102 1.000 24.565 41.403 -2.905 -99.200 -91.000 TYR 103 0.840 28.937 43.391 1.960 -99.200 -91.000 TYR 134 0.840 29.395 24.454 -3.508 -99.200 -91.000 HIS 191 0.900 21.129 23.573 19.254 -99.200 -91.000 PHE 198 1.000 36.110 19.683 22.939 -99.200 -91.000 HIS 207 0.900 16.453 27.712 31.781 -99.200 -91.000 TYR 224 0.840 28.880 26.514 38.767 -99.200 -91.000 PHE 233 1.000 21.468 25.637 30.534 -99.200 -91.000