============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 4 1.000 0.646 13.876 22.418 -99.200 -91.000 PHE 23 1.000 9.556 10.044 31.186 -99.200 -91.000 PHE 28 1.000 14.507 0.696 42.103 -99.200 -91.000 HIS 29 0.900 11.924 6.285 46.104 -99.200 -91.000 PHE 31 1.000 13.999 -1.167 51.321 -99.200 -91.000 PHE 40 1.000 -1.216 14.717 36.772 -99.200 -91.000 PHE 54 1.000 4.870 11.324 27.308 -99.200 -91.000 TRP 57 1.040 -4.243 10.672 35.492 -99.200 -91.000 TRP6 57 1.020 -4.875 11.235 37.699 -99.200 -91.000 TYR 65 0.840 -6.844 -0.041 45.515 -99.200 -91.000 HIS 66 0.900 -10.098 -4.852 36.448 -99.200 -91.000 TYR 72 0.840 -7.381 7.130 38.090 -99.200 -91.000 TYR 73 0.840 -9.555 1.940 30.851 -99.200 -91.000 TYR 83 0.840 5.994 -8.608 30.644 -99.200 -91.000 PHE 91 1.000 3.819 -12.234 28.504 -99.200 -91.000 TRP 97 1.040 -4.253 -4.440 33.837 -99.200 -91.000 TRP6 97 1.020 -6.030 -3.031 34.495 -99.200 -91.000 PHE 128 1.000 13.323 -8.962 23.674 -99.200 -91.000 TYR 134 0.840 0.438 -9.929 24.082 -99.200 -91.000 PHE 142 1.000 8.705 -6.706 24.954 -99.200 -91.000 PHE 157 1.000 7.439 7.029 30.579 -99.200 -91.000