============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 6 1.000 18.924 42.165 100.033 -99.200 -91.000 PHE 11 1.000 14.567 37.191 93.526 -99.200 -91.000 TYR 24 0.840 28.122 42.701 92.988 -99.200 -91.000 TYR 32 0.840 22.751 37.235 105.758 -99.200 -91.000 HIS 44 0.900 4.132 32.014 84.850 -99.200 -91.000 TYR 54 0.840 23.015 31.565 89.180 -99.200 -91.000 TYR 63 0.840 21.473 29.032 101.469 -99.200 -91.000 HIS 64 0.900 16.474 21.378 102.063 -99.200 -91.000 TYR 65 0.840 11.255 25.607 97.608 -99.200 -91.000 TYR 76 0.840 3.393 45.735 93.627 -99.200 -91.000 TYR 80 0.840 5.741 38.236 103.093 -99.200 -91.000 PHE 82 1.000 10.382 33.019 106.079 -99.200 -91.000 PHE 84 1.000 14.964 25.583 105.568 -99.200 -91.000 TYR 95 0.840 0.384 30.327 111.054 -99.200 -91.000 TYR 97 0.840 -2.931 37.233 111.122 -99.200 -91.000 PHE 109 1.000 -0.749 42.155 109.146 -99.200 -91.000 PHE 118 1.000 13.250 28.734 110.159 -99.200 -91.000 HIS 121 0.900 21.580 21.587 114.891 -99.200 -91.000 PHE 128 1.000 14.540 30.714 115.490 -99.200 -91.000 HIS 134 0.900 7.327 45.332 101.110 -99.200 -91.000 TYR 148 0.840 0.024 42.757 121.483 -99.200 -91.000 TYR 151 0.840 4.199 37.094 120.817 -99.200 -91.000 TRP 158 1.040 2.880 26.579 115.271 -99.200 -91.000 TRP6 158 1.020 4.137 27.844 113.727 -99.200 -91.000 HIS 159 0.900 -0.492 25.381 122.253 -99.200 -91.000 PHE 169 1.000 8.480 44.969 110.951 -99.200 -91.000 TYR 175 0.840 6.377 55.874 103.624 -99.200 -91.000 TRP 181 1.040 8.338 54.858 116.465 -99.200 -91.000 TRP6 181 1.020 8.300 52.635 115.655 -99.200 -91.000 PHE 192 1.000 5.923 41.978 120.939 -99.200 -91.000 TRP 194 1.040 10.515 46.967 118.545 -99.200 -91.000 TRP6 194 1.020 9.711 47.745 116.470 -99.200 -91.000 TYR 211 0.840 11.685 53.686 104.809 -99.200 -91.000 PHE 233 1.000 26.527 42.923 104.146 -99.200 -91.000 PHE 235 1.000 23.400 46.155 98.683 -99.200 -91.000 TYR 239 0.840 29.252 42.417 98.716 -99.200 -91.000 HIS 252 0.900 14.057 48.856 101.454 -99.200 -91.000 TYR 253 0.840 22.351 49.911 102.851 -99.200 -91.000