============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 2 1.040 -3.108 -14.391 4.594 -99.200 -91.000 TRP6 2 1.020 -1.281 -12.899 4.468 -99.200 -91.000 TYR 6 0.840 -13.124 -13.418 11.709 -99.200 -91.000 PHE 8 1.000 -3.794 -12.492 8.702 -99.200 -91.000 TYR 23 0.840 -9.982 -10.889 19.245 -99.200 -91.000 HIS 26 0.900 -17.462 -10.650 20.043 -99.200 -91.000 TYR 43 0.840 -1.885 2.150 26.097 -99.200 -91.000 HIS 50 0.900 -12.674 -3.498 27.551 -99.200 -91.000 PHE 63 1.000 -1.848 -6.972 17.479 -99.200 -91.000 PHE 68 1.000 5.763 3.479 13.496 -99.200 -91.000 TRP 74 1.040 10.200 0.473 28.954 -99.200 -91.000 TRP6 74 1.020 8.257 1.605 29.693 -99.200 -91.000 PHE 82 1.000 3.296 3.225 31.104 -99.200 -91.000 TYR 87 0.840 -2.199 4.636 30.465 -99.200 -91.000 PHE 91 1.000 -7.077 -1.504 25.712 -99.200 -91.000 PHE 94 1.000 -3.489 -9.357 20.846 -99.200 -91.000 TYR 108 0.840 -0.584 -3.766 12.743 -99.200 -91.000 PHE 110 1.000 -6.796 -9.119 5.797 -99.200 -91.000 HIS 116 0.900 -2.928 4.232 0.041 -99.200 -91.000 TRP 125 1.040 5.041 8.627 16.025 -99.200 -91.000 TRP6 125 1.020 7.280 8.505 15.228 -99.200 -91.000 PHE 127 1.000 -0.592 5.110 21.220 -99.200 -91.000 PHE 130 1.000 -5.048 -0.447 9.593 -99.200 -91.000 TYR 142 0.840 -11.093 5.487 12.079 -99.200 -91.000 TYR 149 0.840 -13.259 9.429 24.652 -99.200 -91.000