============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 106.332 60.911 129.883 -99.200 -91.000 PHE 13 1.000 112.801 64.860 137.598 -99.200 -91.000 TYR 17 0.840 117.857 62.315 138.429 -99.200 -91.000 TYR 59 0.840 135.488 51.972 121.951 -99.200 -91.000 HIS 64 0.900 130.378 51.338 106.352 -99.200 -91.000 TYR 94 0.840 118.361 44.192 104.198 -99.200 -91.000 PHE 110 1.000 120.132 47.760 123.112 -99.200 -91.000 TYR 114 0.840 117.951 48.361 127.620 -99.200 -91.000 TYR 117 0.840 109.178 48.394 126.742 -99.200 -91.000 PHE 123 1.000 122.047 50.589 127.247 -99.200 -91.000 TYR 139 0.840 123.862 60.509 111.445 -99.200 -91.000 TYR 150 0.840 125.569 67.959 116.973 -99.200 -91.000 PHE 165 1.000 138.605 76.311 118.410 -99.200 -91.000 PHE 166 1.000 135.210 71.605 116.733 -99.200 -91.000 TYR 170 0.840 132.702 72.628 110.549 -99.200 -91.000 PHE 176 1.000 141.541 63.636 107.095 -99.200 -91.000 TYR 204 0.840 142.272 58.624 108.953 -99.200 -91.000 PHE 212 1.000 138.644 53.363 112.895 -99.200 -91.000 TYR 223 0.840 147.970 65.547 110.903 -99.200 -91.000