============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 19.779 3.941 21.002 -99.200 -91.000 PHE 11 1.000 12.223 3.014 12.477 -99.200 -91.000 PHE 13 1.000 3.778 -2.053 6.869 -99.200 -91.000 PHE 15 1.000 -2.142 -4.440 5.566 -99.200 -91.000 HIS 20 0.900 -8.539 -1.057 -9.314 -99.200 -91.000 TRP 26 1.040 6.892 2.041 7.648 -99.200 -91.000 TRP6 26 1.020 6.283 2.302 5.362 -99.200 -91.000 TYR 32 0.840 13.855 5.453 18.028 -99.200 -91.000 TYR 33 0.840 17.688 8.760 11.017 -99.200 -91.000 TYR 35 0.840 19.308 5.732 7.020 -99.200 -91.000 HIS 45 0.900 1.698 -15.043 -7.754 -99.200 -91.000 TRP 58 1.040 17.476 16.715 2.262 -99.200 -91.000 TRP6 58 1.020 18.548 15.168 0.845 -99.200 -91.000 HIS 59 0.900 21.179 11.843 10.142 -99.200 -91.000 PHE 63 1.000 34.439 7.961 5.929 -99.200 -91.000 TYR 64 0.840 28.843 5.680 7.289 -99.200 -91.000 TYR 70 0.840 10.509 9.383 3.574 -99.200 -91.000 TYR 93 0.840 9.858 -1.210 7.644 -99.200 -91.000 PHE 101 1.000 20.377 -0.176 18.237 -99.200 -91.000 TYR 103 0.840 16.079 0.228 15.787 -99.200 -91.000