============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 5 0.840 36.044 -88.062 42.835 -99.200 -91.000 PHE 7 1.000 36.065 -86.832 37.316 -99.200 -91.000 PHE 12 1.000 48.119 -81.734 28.406 -99.200 -91.000 TYR 23 0.840 49.062 -76.143 41.120 -99.200 -91.000 TYR 75 0.840 61.426 -88.718 50.786 -99.200 -91.000 TYR 82 0.840 61.477 -92.802 49.778 -99.200 -91.000 HIS 94 0.900 61.441-109.498 44.456 -99.200 -91.000 TYR 97 0.840 64.916-107.612 34.736 -99.200 -91.000 TYR 101 0.840 63.750-111.034 31.594 -99.200 -91.000 TYR 104 0.840 67.388-109.134 43.277 -99.200 -91.000 PHE 130 1.000 52.807 -92.030 43.532 -99.200 -91.000 HIS 139 0.900 77.628-102.758 39.472 -99.200 -91.000 PHE 142 1.000 75.827-107.790 30.342 -99.200 -91.000 PHE 145 1.000 79.605 -98.806 40.821 -99.200 -91.000 TYR 148 0.840 69.207 -93.712 35.305 -99.200 -91.000 TYR 156 0.840 63.464 -92.754 32.913 -99.200 -91.000 PHE 157 1.000 65.109 -85.405 34.419 -99.200 -91.000 TRP 159 1.040 70.399 -85.792 37.404 -99.200 -91.000 TRP6 159 1.020 70.812 -83.552 36.770 -99.200 -91.000 PHE 174 1.000 80.629 -77.545 47.714 -99.200 -91.000 TRP 179 1.040 81.080 -85.687 39.398 -99.200 -91.000 TRP6 179 1.020 81.572 -86.025 37.110 -99.200 -91.000 HIS 190 0.900 85.793 -84.272 52.051 -99.200 -91.000 PHE 204 1.000 76.541 -82.307 58.157 -99.200 -91.000 TYR 223 0.840 73.427-117.208 50.209 -99.200 -91.000 PHE 234 1.000 71.105 -99.681 50.107 -99.200 -91.000