============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 12 1.000 17.088 13.272 25.961 -99.200 -91.000 TYR 18 0.840 25.712 13.415 36.316 -99.200 -91.000 TRP 20 1.040 31.711 11.292 27.670 -99.200 -91.000 TRP6 20 1.020 31.258 13.480 26.835 -99.200 -91.000 PHE 33 1.000 15.999 22.892 30.078 -99.200 -91.000 HIS 46 0.900 15.969 17.028 11.494 -99.200 -91.000 TYR 47 0.840 19.094 23.228 6.517 -99.200 -91.000 TRP 66 1.040 29.865 31.519 30.563 -99.200 -91.000 TRP6 66 1.020 28.263 31.754 28.863 -99.200 -91.000 HIS 75 0.900 15.540 19.581 19.604 -99.200 -91.000 TRP 81 1.040 2.694 10.906 21.315 -99.200 -91.000 TRP6 81 1.020 0.363 11.158 20.997 -99.200 -91.000 PHE 88 1.000 21.479 15.844 29.066 -99.200 -91.000 HIS 95 0.900 31.634 29.645 40.843 -99.200 -91.000 PHE 100 1.000 23.049 26.501 38.066 -99.200 -91.000 PHE 105 1.000 25.346 31.324 24.372 -99.200 -91.000 TYR 109 0.840 22.858 32.788 21.263 -99.200 -91.000 PHE 116 1.000 16.255 20.578 16.151 -99.200 -91.000 TRP 117 1.040 11.105 25.669 11.757 -99.200 -91.000 TRP6 117 1.020 12.811 24.647 10.515 -99.200 -91.000 TRP 128 1.040 3.494 24.638 10.262 -99.200 -91.000 TRP6 128 1.020 5.283 23.200 10.322 -99.200 -91.000 TRP 142 1.040 22.020 34.507 26.669 -99.200 -91.000 TRP6 142 1.020 23.016 34.106 28.779 -99.200 -91.000