============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 2 0.840 16.073 53.030 114.402 -99.200 -91.000 PHE 8 1.000 14.059 65.911 114.709 -99.200 -91.000 HIS 10 0.900 20.506 58.897 118.862 -99.200 -91.000 PHE 12 1.000 16.032 69.151 120.455 -99.200 -91.000 TRP 13 1.040 16.235 64.740 122.593 -99.200 -91.000 TRP6 13 1.020 15.616 66.278 124.274 -99.200 -91.000 HIS 20 0.900 20.691 70.874 128.908 -99.200 -91.000 PHE 23 1.000 24.101 76.668 127.347 -99.200 -91.000 TYR 41 0.840 33.031 61.776 131.035 -99.200 -91.000 PHE 42 1.000 28.688 64.176 132.360 -99.200 -91.000 PHE 46 1.000 26.052 64.056 126.658 -99.200 -91.000 PHE 61 1.000 25.295 57.798 118.556 -99.200 -91.000 PHE 75 1.000 28.039 67.605 136.424 -99.200 -91.000 HIS 91 0.900 28.248 82.091 139.448 -99.200 -91.000 PHE 92 1.000 23.331 77.883 134.083 -99.200 -91.000 PHE 96 1.000 18.515 77.665 132.723 -99.200 -91.000 HIS 99 0.900 12.362 74.634 134.066 -99.200 -91.000 TYR 107 0.840 19.144 61.549 123.762 -99.200 -91.000 PHE 113 1.000 8.919 54.234 122.605 -99.200 -91.000 PHE 123 1.000 5.859 60.148 124.206 -99.200 -91.000 HIS 124 0.900 -3.475 64.211 124.486 -99.200 -91.000 HIS 127 0.900 5.278 63.596 127.243 -99.200 -91.000 TYR 128 0.840 5.234 65.662 122.377 -99.200 -91.000 HIS 129 0.900 0.442 72.020 124.833 -99.200 -91.000 TRP 132 1.040 9.217 70.033 125.374 -99.200 -91.000 TRP6 132 1.020 11.556 70.493 125.389 -99.200 -91.000 HIS 139 0.900 14.296 77.604 127.281 -99.200 -91.000 PHE 161 1.000 7.666 86.562 124.449 -99.200 -91.000 HIS 164 0.900 1.475 86.658 127.445 -99.200 -91.000 PHE 165 1.000 6.120 80.729 126.518 -99.200 -91.000 PHE 168 1.000 -0.446 80.171 126.206 -99.200 -91.000 TYR 169 0.840 2.811 73.359 134.183 -99.200 -91.000 TYR 178 0.840 -10.858 70.831 131.535 -99.200 -91.000 HIS 184 0.900 -8.144 60.288 126.384 -99.200 -91.000 HIS 185 0.900 -6.913 63.700 120.699 -99.200 -91.000 PHE 186 1.000 -10.725 68.688 125.589 -99.200 -91.000 PHE 192 1.000 -3.070 74.905 126.327 -99.200 -91.000 PHE 203 1.000 10.638 82.561 124.868 -99.200 -91.000 HIS 205 0.900 9.152 85.643 114.762 -99.200 -91.000 PHE 206 1.000 12.551 88.732 124.030 -99.200 -91.000 HIS 208 0.900 15.284 82.924 115.873 -99.200 -91.000 HIS 230 0.900 20.157 74.749 124.987 -99.200 -91.000 TYR 237 0.840 12.349 67.601 120.315 -99.200 -91.000 TYR 238 0.840 5.960 73.207 123.751 -99.200 -91.000