============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 17.805 25.118 5.796 -99.200 -91.000 TYR 14 0.840 18.362 38.167 9.641 -99.200 -91.000 TYR 22 0.840 10.925 27.832 31.032 -99.200 -91.000 HIS 23 0.900 12.366 31.095 21.556 -99.200 -91.000 PHE 24 1.000 8.168 35.961 24.960 -99.200 -91.000 TRP 34 1.040 15.080 51.554 18.595 -99.200 -91.000 TRP6 34 1.020 12.917 51.816 19.514 -99.200 -91.000 HIS 40 0.900 1.457 36.583 17.906 -99.200 -91.000 TYR 42 0.840 2.886 44.047 26.399 -99.200 -91.000 HIS 53 0.900 23.262 27.111 15.627 -99.200 -91.000 PHE 64 1.000 21.616 35.610 27.677 -99.200 -91.000 HIS 73 0.900 0.392 49.889 13.679 -99.200 -91.000 PHE 76 1.000 -1.987 42.799 18.076 -99.200 -91.000 TRP 121 1.040 16.458 28.867 18.571 -99.200 -91.000 TRP6 121 1.020 16.922 31.168 18.272 -99.200 -91.000 TYR 152 0.840 -4.812 31.066 6.518 -99.200 -91.000 PHE 165 1.000 7.162 25.609 0.575 -99.200 -91.000 TRP 193 1.040 -2.625 35.500 11.236 -99.200 -91.000 TRP6 193 1.020 -4.435 34.436 10.145 -99.200 -91.000 TYR 195 0.840 -7.213 29.513 10.254 -99.200 -91.000 TYR 206 0.840 5.145 33.933 7.611 -99.200 -91.000 TYR 212 0.840 2.540 47.438 9.520 -99.200 -91.000 TRP 215 1.040 4.187 52.604 14.006 -99.200 -91.000 TRP6 215 1.020 5.022 50.595 14.938 -99.200 -91.000