============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 5 1.000 18.021 70.398 133.532 -99.200 -91.000 TYR 10 0.840 15.431 81.511 123.807 -99.200 -91.000 PHE 38 1.000 11.182 73.287 120.152 -99.200 -91.000 TYR 49 0.840 7.327 60.348 131.731 -99.200 -91.000 TYR 62 0.840 11.224 74.769 135.898 -99.200 -91.000 HIS 82 0.900 4.458 54.172 124.636 -99.200 -91.000 TYR 108 0.840 21.916 50.586 128.406 -99.200 -91.000 TYR 115 0.840 34.382 43.154 128.542 -99.200 -91.000 PHE 125 1.000 21.689 49.419 116.213 -99.200 -91.000 PHE 130 1.000 15.458 48.517 115.256 -99.200 -91.000 TYR 132 0.840 15.478 59.181 117.086 -99.200 -91.000 PHE 133 1.000 14.013 53.735 110.307 -99.200 -91.000 HIS 134 0.900 8.603 50.836 114.429 -99.200 -91.000 HIS 142 0.900 -1.966 62.032 112.929 -99.200 -91.000 TYR 158 0.840 28.081 64.076 111.916 -99.200 -91.000 TYR 167 0.840 24.692 57.225 122.317 -99.200 -91.000 PHE 177 1.000 14.528 58.372 110.268 -99.200 -91.000 TYR 213 0.840 22.017 78.177 129.065 -99.200 -91.000 TYR 219 0.840 17.337 69.912 119.643 -99.200 -91.000 TYR 221 0.840 18.514 77.914 111.739 -99.200 -91.000 TYR 229 0.840 16.960 77.387 99.872 -99.200 -91.000 HIS 236 0.900 27.998 68.454 113.397 -99.200 -91.000