============================================================================= 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 35.738 -88.140 43.050 -99.200 -91.000 PHE 7 1.000 35.841 -86.962 37.503 -99.200 -91.000 PHE 12 1.000 47.813 -81.685 28.482 -99.200 -91.000 TYR 23 0.840 48.889 -76.266 41.207 -99.200 -91.000 TYR 75 0.840 61.367 -88.846 50.771 -99.200 -91.000 TYR 82 0.840 61.315 -92.835 49.770 -99.200 -91.000 HIS 94 0.900 61.312-109.538 44.447 -99.200 -91.000 TYR 97 0.840 64.674-107.649 34.714 -99.200 -91.000 TYR 101 0.840 63.537-111.098 31.626 -99.200 -91.000 TYR 104 0.840 67.194-109.141 43.227 -99.200 -91.000 PHE 130 1.000 52.620 -92.071 43.526 -99.200 -91.000 HIS 139 0.900 77.382-102.850 39.452 -99.200 -91.000 PHE 142 1.000 75.749-107.908 30.318 -99.200 -91.000 PHE 145 1.000 79.455 -98.854 40.692 -99.200 -91.000 TYR 148 0.840 69.009 -93.832 35.284 -99.200 -91.000 TYR 156 0.840 63.208 -92.735 32.930 -99.200 -91.000 PHE 157 1.000 64.833 -85.452 34.390 -99.200 -91.000 TRP 159 1.040 70.277 -85.844 37.310 -99.200 -91.000 TRP6 159 1.020 70.684 -83.640 36.558 -99.200 -91.000 PHE 174 1.000 80.355 -77.573 47.648 -99.200 -91.000 TRP 179 1.040 80.908 -85.797 39.272 -99.200 -91.000 TRP6 179 1.020 81.417 -86.154 36.987 -99.200 -91.000 HIS 190 0.900 85.789 -84.432 52.027 -99.200 -91.000 PHE 204 1.000 76.546 -82.368 58.017 -99.200 -91.000 TYR 223 0.840 73.245-117.200 50.136 -99.200 -91.000 PHE 234 1.000 71.005 -99.772 50.074 -99.200 -91.000