============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 2 0.900 65.394 3.698 134.282 -99.200 -91.000 TYR 15 0.840 48.776 -5.370 123.765 -99.200 -91.000 TRP 18 1.040 55.189 -2.444 122.986 -99.200 -91.000 TRP6 18 1.020 53.748 -2.980 121.193 -99.200 -91.000 PHE 33 1.000 50.184 5.573 120.034 -99.200 -91.000 TYR 38 0.840 58.077 -12.376 119.891 -99.200 -91.000 PHE 40 1.000 57.710 -16.684 115.816 -99.200 -91.000 TYR 47 0.840 52.764 -23.922 109.818 -99.200 -91.000 PHE 50 1.000 53.581 -12.317 118.755 -99.200 -91.000 TYR 73 0.840 40.924 8.387 121.156 -99.200 -91.000 TRP 77 1.040 46.373 -4.894 113.565 -99.200 -91.000 TRP6 77 1.020 47.896 -5.532 115.254 -99.200 -91.000 TYR 81 0.840 51.782 -13.634 107.493 -99.200 -91.000 TYR 106 0.840 27.965 26.264 118.637 -99.200 -91.000 PHE 111 1.000 31.736 28.729 118.444 -99.200 -91.000 PHE 127 1.000 35.709 16.339 118.418 -99.200 -91.000 PHE 141 1.000 38.628 35.913 119.492 -99.200 -91.000 HIS 153 0.900 45.384 22.551 115.567 -99.200 -91.000 PHE 172 1.000 47.688 12.479 132.883 -99.200 -91.000 PHE 202 1.000 72.612 26.380 114.372 -99.200 -91.000 TRP 204 1.040 71.671 34.327 107.600 -99.200 -91.000 TRP6 204 1.020 72.870 36.307 107.146 -99.200 -91.000 PHE 208 1.000 63.493 36.504 102.445 -99.200 -91.000 PHE 211 1.000 60.839 39.137 106.881 -99.200 -91.000 TYR 224 0.840 68.178 45.353 98.536 -99.200 -91.000 TRP 246 1.040 52.855 35.385 112.924 -99.200 -91.000 TRP6 246 1.020 52.881 34.527 110.717 -99.200 -91.000 TYR 259 0.840 72.205 20.402 121.958 -99.200 -91.000 TRP 264 1.040 62.588 7.391 126.849 -99.200 -91.000 TRP6 264 1.020 60.418 6.536 126.444 -99.200 -91.000 TRP 273 1.040 65.220 14.858 129.009 -99.200 -91.000 TRP6 273 1.020 66.525 16.798 129.252 -99.200 -91.000 PHE 297 1.000 60.151 11.559 126.215 -99.200 -91.000