============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 2 1.040 11.510 61.871 8.718 -99.200 -91.000 TRP6 2 1.020 12.019 59.575 8.488 -99.200 -91.000 PHE 18 1.000 10.537 64.102 -9.033 -99.200 -91.000 PHE 19 1.000 10.429 72.857 -11.386 -99.200 -91.000 PHE 21 1.000 9.026 76.790 -14.129 -99.200 -91.000 TYR 22 0.840 0.756 75.407 -16.406 -99.200 -91.000 TYR 27 0.840 4.952 83.016 -6.752 -99.200 -91.000 PHE 29 1.000 7.461 74.146 -0.394 -99.200 -91.000 HIS 40 0.900 23.031 78.546 4.987 -99.200 -91.000 TYR 50 0.840 15.203 65.322 -11.343 -99.200 -91.000 HIS 51 0.900 7.648 71.611 -15.449 -99.200 -91.000 HIS 60 0.900 3.369 65.873 -21.154 -99.200 -91.000 TRP 66 1.040 13.609 72.394 -14.899 -99.200 -91.000 TRP6 66 1.020 14.009 74.598 -14.143 -99.200 -91.000 PHE 80 1.000 8.646 79.554 -18.578 -99.200 -91.000 PHE 81 1.000 8.390 79.050 -9.659 -99.200 -91.000 HIS 90 0.900 -2.011 82.446 -20.767 -99.200 -91.000 PHE 99 1.000 15.317 77.638 -22.675 -99.200 -91.000 TYR 109 0.840 13.352 76.919 -27.643 -99.200 -91.000 PHE 128 1.000 4.996 62.007 -11.790 -99.200 -91.000 TYR 131 0.840 13.362 60.355 -6.397 -99.200 -91.000 TYR 140 0.840 10.164 62.314 -3.373 -99.200 -91.000 TYR 145 0.840 15.628 59.155 4.999 -99.200 -91.000 HIS 146 0.900 6.753 63.135 0.237 -99.200 -91.000 PHE 152 1.000 8.198 70.440 8.564 -99.200 -91.000 PHE 155 1.000 0.115 80.145 14.608 -99.200 -91.000 PHE 160 1.000 6.792 75.918 4.939 -99.200 -91.000 TYR 164 0.840 9.829 71.747 3.703 -99.200 -91.000