============================================================================= 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 36.034 -87.959 42.794 -99.200 -91.000 PHE 7 1.000 36.135 -86.752 37.309 -99.200 -91.000 PHE 12 1.000 48.139 -81.601 28.354 -99.200 -91.000 TYR 23 0.840 49.073 -76.199 41.169 -99.200 -91.000 TYR 75 0.840 61.517 -88.751 50.813 -99.200 -91.000 TYR 82 0.840 61.571 -92.783 49.761 -99.200 -91.000 HIS 94 0.900 61.736-109.543 44.450 -99.200 -91.000 TYR 97 0.840 65.089-107.600 34.716 -99.200 -91.000 TYR 101 0.840 64.058-111.039 31.609 -99.200 -91.000 TYR 104 0.840 67.502-109.045 43.238 -99.200 -91.000 PHE 130 1.000 52.856 -91.984 43.556 -99.200 -91.000 HIS 139 0.900 77.857-102.635 39.350 -99.200 -91.000 PHE 142 1.000 76.221-107.653 30.244 -99.200 -91.000 PHE 145 1.000 79.846 -98.694 40.820 -99.200 -91.000 TYR 148 0.840 69.391 -93.649 35.271 -99.200 -91.000 TYR 156 0.840 63.574 -92.688 32.913 -99.200 -91.000 PHE 157 1.000 65.352 -85.408 34.570 -99.200 -91.000 TRP 159 1.040 70.540 -85.724 37.351 -99.200 -91.000 TRP6 159 1.020 70.855 -83.522 36.547 -99.200 -91.000 PHE 174 1.000 80.805 -77.459 47.656 -99.200 -91.000 TRP 179 1.040 81.237 -85.600 39.394 -99.200 -91.000 TRP6 179 1.020 81.827 -85.899 37.120 -99.200 -91.000 HIS 190 0.900 85.983 -84.260 52.205 -99.200 -91.000 PHE 204 1.000 76.677 -82.205 58.089 -99.200 -91.000 TYR 223 0.840 73.518-117.009 50.349 -99.200 -91.000 PHE 234 1.000 71.304 -99.600 50.001 -99.200 -91.000