============================================================================= 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. TYR 4 0.840 19.476 26.097 7.062 -99.200 -91.000 HIS 6 0.900 27.606 26.906 15.227 -99.200 -91.000 TRP 44 1.040 34.523 17.094 -10.184 -99.200 -91.000 TRP6 44 1.020 35.671 16.610 -8.168 -99.200 -91.000 PHE 53 1.000 19.605 21.681 -10.279 -99.200 -91.000 PHE 55 1.000 24.620 17.368 -11.216 -99.200 -91.000 PHE 71 1.000 25.775 44.200 -0.750 -99.200 -91.000 HIS 76 0.900 19.873 33.982 0.109 -99.200 -91.000 TYR 89 0.840 29.382 39.174 -11.545 -99.200 -91.000 TRP 111 1.040 39.609 26.192 2.972 -99.200 -91.000 TRP6 111 1.020 40.073 24.346 4.358 -99.200 -91.000 TRP 117 1.040 23.023 28.744 4.002 -99.200 -91.000 TRP6 117 1.020 21.522 30.575 3.777 -99.200 -91.000 HIS 119 0.900 17.208 32.334 -5.700 -99.200 -91.000 TYR 131 0.840 30.581 30.359 -0.709 -99.200 -91.000 PHE 136 1.000 32.714 32.387 14.671 -99.200 -91.000 TYR 137 0.840 32.814 26.928 13.144 -99.200 -91.000 TRP 140 1.040 34.438 20.851 16.843 -99.200 -91.000 TRP6 140 1.020 34.144 20.285 14.564 -99.200 -91.000