============================================================================= 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. HIS 30 0.900 116.670 86.275 -16.499 -99.200 -91.000 HIS 38 0.900 121.715 86.014 -10.719 -99.200 -91.000 TYR 46 0.840 114.254 75.577 -4.521 -99.200 -91.000 PHE 51 1.000 110.209 70.861 -5.804 -99.200 -91.000 PHE 56 1.000 111.933 81.467 -20.851 -99.200 -91.000 HIS 61 0.900 117.424 90.573 -19.331 -99.200 -91.000 TYR 76 0.840 115.787 101.003 -16.086 -99.200 -91.000 TYR 81 0.840 107.787 97.123 -15.871 -99.200 -91.000 PHE 87 1.000 111.790 85.971 -18.291 -99.200 -91.000 PHE 102 1.000 110.559 67.488 -18.936 -99.200 -91.000 PHE 107 1.000 104.668 73.056 -7.074 -99.200 -91.000 PHE 116 1.000 104.777 93.343 -13.527 -99.200 -91.000 HIS 119 0.900 102.194 88.901 -8.407 -99.200 -91.000 PHE 126 1.000 100.931 78.386 -16.298 -99.200 -91.000 PHE 134 1.000 112.493 82.778 -4.224 -99.200 -91.000 PHE 139 1.000 99.815 97.100 -7.300 -99.200 -91.000 TYR 157 0.840 103.820 101.674 -14.834 -99.200 -91.000 TYR 168 0.840 97.057 86.975 -9.298 -99.200 -91.000 HIS 175 0.900 105.202 88.766 -3.732 -99.200 -91.000 HIS 177 0.900 110.304 92.427 -1.238 -99.200 -91.000 HIS 182 0.900 117.447 100.694 0.304 -99.200 -91.000 HIS 198 0.900 90.189 89.458 -5.748 -99.200 -91.000 TYR 199 0.840 95.803 84.144 -3.684 -99.200 -91.000 PHE 207 1.000 111.571 84.074 5.320 -99.200 -91.000 HIS 214 0.900 115.839 93.489 -6.074 -99.200 -91.000 PHE 226 1.000 103.956 78.735 -0.620 -99.200 -91.000 HIS 229 0.900 101.436 73.191 3.204 -99.200 -91.000 TRP 230 1.040 100.823 75.624 -0.879 -99.200 -91.000 TRP6 230 1.020 98.528 75.325 -0.436 -99.200 -91.000