============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 38.758 -18.473 17.346 -99.200 -91.000 PHE 4 1.000 32.491 -9.861 18.582 -99.200 -91.000 TRP 9 1.040 23.666 -11.274 29.718 -99.200 -91.000 TRP6 9 1.020 24.372 -9.695 31.332 -99.200 -91.000 PHE 25 1.000 29.356 -13.582 32.439 -99.200 -91.000 PHE 30 1.000 38.305 -11.729 28.613 -99.200 -91.000 PHE 40 1.000 26.270 -7.047 22.018 -99.200 -91.000 HIS 45 0.900 18.756 -4.910 33.450 -99.200 -91.000 TYR 46 0.840 26.385 0.238 28.100 -99.200 -91.000 HIS 48 0.900 23.639 -3.188 38.283 -99.200 -91.000 PHE 57 1.000 34.164 -9.945 31.099 -99.200 -91.000 PHE 67 1.000 13.185 6.673 11.931 -99.200 -91.000 TYR 72 0.840 13.034 10.170 14.493 -99.200 -91.000 TYR 88 0.840 31.889 -4.634 19.919 -99.200 -91.000 HIS 93 0.900 18.283 -11.940 17.896 -99.200 -91.000 PHE 94 1.000 15.255 -15.694 16.098 -99.200 -91.000 TYR 99 0.840 8.774 -12.238 18.685 -99.200 -91.000 PHE 100 1.000 9.508 -5.982 18.747 -99.200 -91.000 HIS 101 0.900 5.858 -7.105 11.978 -99.200 -91.000 PHE 125 1.000 24.156 -12.910 7.755 -99.200 -91.000 PHE 148 1.000 24.707 -6.892 6.266 -99.200 -91.000 PHE 155 1.000 35.284 -5.500 4.865 -99.200 -91.000 TYR 162 0.840 23.447 -19.672 9.221 -99.200 -91.000 TRP 166 1.040 18.389 -23.986 9.241 -99.200 -91.000 TRP6 166 1.020 19.214 -26.120 9.879 -99.200 -91.000 HIS 183 0.900 29.576 -19.420 10.458 -99.200 -91.000 TYR 206 0.840 25.593 -21.937 15.171 -99.200 -91.000 PHE 227 1.000 31.063 -20.065 20.236 -99.200 -91.000 PHE 238 1.000 29.217 -15.931 27.708 -99.200 -91.000