============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 5 1.000 45.155 -5.759 -15.646 -99.200 -91.000 PHE 7 1.000 49.647 -3.111 -12.771 -99.200 -91.000 HIS 15 0.900 44.497 7.982 -8.263 -99.200 -91.000 TYR 34 0.840 42.580 -7.033 12.887 -99.200 -91.000 TYR 36 0.840 36.582 -2.083 16.944 -99.200 -91.000 TRP 47 1.040 46.692 5.329 4.314 -99.200 -91.000 TRP6 47 1.020 46.761 5.081 1.967 -99.200 -91.000 PHE 48 1.000 46.464 9.416 -0.641 -99.200 -91.000 PHE 56 1.000 56.612 3.678 3.933 -99.200 -91.000 PHE 71 1.000 44.330 1.265 -2.099 -99.200 -91.000 TRP 74 1.040 56.443 -0.492 0.883 -99.200 -91.000 TRP6 74 1.020 57.238 -1.241 -1.209 -99.200 -91.000 PHE 77 1.000 56.088 -6.759 10.817 -99.200 -91.000 PHE 80 1.000 60.455 -0.732 17.913 -99.200 -91.000 TYR 83 0.840 61.514 -5.183 13.497 -99.200 -91.000 TYR 85 0.840 67.985 -3.022 4.608 -99.200 -91.000 HIS 89 0.900 51.983 -7.712 1.425 -99.200 -91.000 TYR 92 0.840 43.145 -2.441 1.686 -99.200 -91.000 HIS 94 0.900 34.551 -0.714 -6.516 -99.200 -91.000 TYR 97 0.840 35.609 -3.103 -11.618 -99.200 -91.000 HIS 105 0.900 47.120 -9.924 -13.521 -99.200 -91.000 HIS 120 0.900 66.351 -9.933 3.233 -99.200 -91.000 HIS 137 0.900 49.172 -12.353 0.609 -99.200 -91.000 PHE 142 1.000 53.959 -12.475 0.184 -99.200 -91.000 HIS 144 0.900 50.557 -19.154 8.968 -99.200 -91.000 PHE 153 1.000 35.523 -9.114 20.683 -99.200 -91.000 PHE 155 1.000 32.702 -7.201 11.298 -99.200 -91.000 TRP 158 1.040 38.198 -13.505 21.789 -99.200 -91.000 TRP6 158 1.020 39.159 -11.442 22.411 -99.200 -91.000 PHE 163 1.000 51.691 -10.644 11.950 -99.200 -91.000 TYR 164 0.840 50.059 -16.767 5.225 -99.200 -91.000 HIS 173 0.900 76.605 -5.145 -1.961 -99.200 -91.000