Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.79 A 0.2 C Shift Assignments>> C :: 175.334 CA :: 55.625 CB :: 32.654 CG :: 32.044 CE :: 17.035 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.543 HB2 :: 1.971 HB3 :: 2.051 HG2 :: 2.444 HG3 :: 2.541 HE1 :: 2.069 HE2 :: 2.069 HE3 :: 2.069 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.450 CA :: 57.544 CB :: 65.179 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.111 HA :: 5.176 HB2 :: 3.623 HB3 :: 3.623 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.552 Ave N Shift Values>> N :: 116.28(3.52) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.008 CA :: 60.540 CB :: 34.654 CG1 :: 21.184 CG2 :: 20.721 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.506 HA :: 4.519 HB :: 2.155 HG11 :: 1.088 HG12 :: 1.088 HG13 :: 1.088 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.601 Ave N Shift Values>> N :: 121.14(4.54) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.7 E 0.29 C Shift Assignments>> C :: 175.347 CA :: 56.519 CB :: 29.327 CG :: 34.352 CD :: 180.197 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.747 HA :: 4.411 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 2.342 HG3 :: 2.444 HE21 :: 6.773 HE22 :: 7.580 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.947 NE2 :: 112.205 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 A 0.27 C Shift Assignments>> C :: 173.743 CA :: 56.505 CB :: 40.312 CG1 :: 26.732 CG2 :: 17.538 CD1 :: 13.300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.932 HA :: 4.661 HB :: 1.574 HG12 :: 1.326 HG13 :: 1.326 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.114 Ave N Shift Values>> N :: 121.46(4.28) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.498 CA :: 63.011 CB :: 32.197 CG :: 26.718 CD :: 49.278 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.397 HB2 :: 1.799 HB3 :: 2.200 HG2 :: 1.858 HG3 :: 1.944 HD2 :: 3.505 HD3 :: 3.505 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.A22 2.A22 C Shift Assignments>> C :: 175.874 CA :: 61.730 CB :: 33.335 CG1 :: 22.732 CG2 :: 22.117 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.312 HA :: 3.966 HB :: 2.067 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.668 Ave N Shift Values>> N :: 121.14(4.54) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.757 CA :: 62.012 CB :: 32.509 CG1 :: 20.877 CG2 :: 21.199 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.530 HA :: 4.294 HB :: 2.155 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.290 Ave N Shift Values>> N :: 121.14(4.54) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.16 Q 0.11 M 0.06 I 0.05 C Shift Assignments>> C :: 176.249 CA :: 56.291 CB :: 29.535 CG :: 36.182 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.982 HA :: 5.160 HB2 :: 2.115 HB3 :: 2.115 HG2 :: 2.303 HG3 :: 2.518 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.880 Ave N Shift Values>> N :: 120.67(3.48) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 V 0.31 A 0.13 C Shift Assignments>> C :: 174.890 CA :: 58.984 CB :: 36.383 CG1 :: 19.276 CG2 :: 23.710 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.387 HA :: 4.888 HB :: 2.380 HG11 :: 0.545 HG12 :: 0.545 HG13 :: 0.545 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.792 Ave N Shift Values>> N :: 121.14(4.54) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.21 D 0.21 F 0.11 Y 0.07 R 0.07 N 0.02 C Shift Assignments>> C :: 175.710 CA :: 55.465 CB :: 41.848 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.724 HA :: 4.870 HB2 :: 2.558 HB3 :: 2.733 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.938 Ave N Shift Values>> N :: 120.65(3.86) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.15 Q 0.14 C Shift Assignments>> C :: 174.200 CA :: 53.972 CB :: 32.440 CG :: 34.909 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.399 HA :: 4.329 HB2 :: 1.795 HB3 :: 1.883 HG2 :: 2.097 HG3 :: 2.097 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.134 Ave N Shift Values>> N :: 120.67(3.48) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 A 0.14 C Shift Assignments>> C :: 174.738 CA :: 53.166 CB :: 40.837 CG :: 26.447 CD1 :: 22.982 CD2 :: 25.572 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.819 HA :: 3.696 HB2 :: 0.914 HB3 :: 1.369 HG :: 1.076 HD11 :: 0.065 HD12 :: 0.065 HD13 :: 0.065 HD21 :: 0.195 HD22 :: 0.195 HD23 :: 0.195 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.013 Ave N Shift Values>> N :: 121.86(3.9) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.556 CA :: 62.451 CB :: 32.212 CG :: 26.399 CD :: 49.209 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.356 HB2 :: 1.991 HB3 :: 2.420 HG2 :: 2.033 HG3 :: 2.033 HD2 :: 3.372 HD3 :: 3.418 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.16 Q 0.12 I 0.1 M 0.05 C Shift Assignments>> C :: 176.893 CA :: 57.972 CB :: 29.604 CG :: 35.942 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.406 HA :: 3.946 HB2 :: 1.887 HB3 :: 1.960 HG2 :: 2.233 HG3 :: 2.233 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.839 Ave N Shift Values>> N :: 120.67(3.48) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 174.223 CA :: 44.348 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.650 HA2 :: 3.469 HA3 :: 4.028 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.774 Ave N Shift Values>> N :: 109.67(3.87) 1.Y20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.731 CA :: 58.611 CB :: 37.559 CD1 :: 133.396 CE1 :: 116.854 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.169 HA :: 3.872 HB2 :: 2.128 HB3 :: 2.263 HD1 :: 5.641(S) HD2 :: 5.641(S) HE1 :: 6.457 HE2 :: 6.457 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.394 Ave N Shift Values>> N :: 120.52(4.2) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.21 D 0.17 K 0.14 F 0.07 Y 0.04 G 0.01 N 0.01 HN Overlap>> 2.L58 2.L58 C Shift Assignments>> C :: 178.485 CA :: 55.092 CB :: 42.678 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.491 HA :: 4.573 HB2 :: 2.713 HB3 :: 2.841 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.330 Ave N Shift Values>> N :: 120.65(3.86) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.17 K 0.08 C Shift Assignments>> C :: 175.335 CA :: 56.052 CB :: 31.264 CG :: 26.393 CD :: 43.706 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.406 HA :: 4.578 HB2 :: 1.806 HB3 :: 2.021 HG2 :: 1.583 HG3 :: 1.685 HD2 :: 3.074 HD3 :: 3.163 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.791 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 61.116 CB :: 65.033 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.757 HA :: 4.278 HB2 :: 3.987 HB3 :: 4.022 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.944 Ave N Shift Values>> N :: 116.28(3.52) 2.P1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.58 M 0.13 K 0.12 Q 0.12 I 0.03 C Shift Assignments>> CA :: 56.431 CB :: 30.094 CG :: 36.071 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.671 HB2 :: 2.021 HB3 :: 2.079 HG2 :: 2.362 HG3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 2.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.12 K 0.11 Q 0.09 I 0.05 C Shift Assignments>> C :: 176.213 CA :: 56.822 CB :: 30.094 CG :: 36.253 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.668 HA :: 4.281 HB2 :: 1.904 HB3 :: 2.014 HG2 :: 2.234 HG3 :: 2.234 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.753 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.36 E 0.09 M 0.07 R 0.04 C Shift Assignments>> C :: 175.780 CA :: 55.872 CB :: 29.272 CG :: 33.797 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.558 HA :: 4.342 HB2 :: 1.996 HB3 :: 2.088 HG2 :: 2.355 HG3 :: 2.355 HE21 :: 6.860 HE22 :: 7.608 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.458 NE2 :: 112.650 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.19 Q 0.08 K 0.07 I 0.03 C Shift Assignments>> C :: 175.886 CA :: 56.454 CB :: 30.509 CG :: 36.232 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.521 HA :: 4.317 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.229 HG3 :: 2.358 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.173 Ave N Shift Values>> N :: 120.67(3.48) 2.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 K 0.11 N 0.11 F 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.628 CA :: 54.284 CB :: 41.156 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.358 HA :: 4.589 HB2 :: 2.464 HB3 :: 2.612 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.713 Ave N Shift Values>> N :: 120.65(3.86) 2.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.883 CA :: 59.730 CB :: 32.233 CG1 :: 20.342 CG2 :: 21.228 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.006 HA :: 4.382 HB :: 2.076 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.330 Ave N Shift Values>> N :: 121.14(4.54) 2.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.732 CA :: 63.010 CB :: 32.367 CG :: 27.459 CD :: 50.604 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.278 HB2 :: 1.319 HB3 :: 2.030 HG2 :: 1.947 HG3 :: 1.947 HD2 :: 3.663 HD3 :: 3.775 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 M 0.38 Q 0.1 K 0.02 C Shift Assignments>> C :: 174.621 CA :: 55.652 CB :: 31.374 CG :: 35.849 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.594 HA :: 4.273 HB2 :: 1.712 HB3 :: 1.798 HG2 :: 1.992 HG3 :: 2.142 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.480 Ave N Shift Values>> N :: 120.67(3.48) 2.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 2.R82 2.R82 C Shift Assignments>> C :: 176.026 CA :: 57.145 CB :: 40.534 CD1 :: 133.002 CE1 :: 117.860 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.333 HA :: 5.421 HB2 :: 2.666 HB3 :: 2.666 HD1 :: 6.949 HD2 :: 6.949 HE1 :: 6.747 HE2 :: 6.747 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.945 Ave N Shift Values>> N :: 120.52(4.2) 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 E 0.43 Q 0.03 C Shift Assignments>> C :: 174.750 CA :: 55.545 CB :: 32.579 CG :: 36.342 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.129 HA :: 4.689 HB2 :: 1.886 HB3 :: 2.060 HG2 :: 2.155 HG3 :: 2.229 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.200 Ave N Shift Values>> N :: 120.67(3.48) 2.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.944 CA :: 61.465 CB :: 33.270 CG1 :: 21.326 CG2 :: 21.117 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.703 HA :: 4.951 HB :: 1.980 HG11 :: 0.764 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.739 Ave N Shift Values>> N :: 121.14(4.54) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.34 G 0.02 C Shift Assignments>> C :: 175.651 CA :: 55.065 CB :: 36.314 CG :: 25.103 CD :: 29.130 CE :: 42.206 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.088 HA :: 4.935 HB2 :: 1.671 HB3 :: 1.932 HG2 :: 1.416 HG3 :: 1.416 HD2 :: 1.586 HD3 :: 1.706 HE2 :: 2.896 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.242 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.49 C Shift Assignments>> C :: 174.785 CA :: 55.024 CB :: 36.314 CG :: 33.162 CE :: 17.655 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.994 HA :: 5.478 HB2 :: 1.830 HB3 :: 2.019 HG2 :: 2.409 HG3 :: 2.507 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.849 Ave N Shift Values>> N :: 120.09(3.57) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.45 G 0.02 C Shift Assignments>> C :: 173.919 CA :: 56.345 CB :: 36.660 CG :: 25.214 CD :: 30.070 CE :: 42.092 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.904 HA :: 4.528 HB2 :: 1.617 HB3 :: 1.750 HG2 :: 1.157 HG3 :: 0.702 HD2 :: 1.441 HD3 :: 1.610 HE2 :: 2.472 HE3 :: 2.695 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.758 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.23 G 0.07 C Shift Assignments>> C :: 175.944 CA :: 54.319 CB :: 31.403 CG :: 27.864 CD :: 43.074 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.541 HA :: 5.287 HB2 :: 1.705 HB3 :: 1.961 HG2 :: 1.606 HG3 :: 1.606 HD2 :: 3.269 HD3 :: 3.269 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.422 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.33 G 0.26 C Shift Assignments>> C :: 175.698 CA :: 57.571 CB :: 43.785 CD1 :: 131.693 CE1 :: 131.944 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.390 HA :: 4.699 HB2 :: 2.841 HB3 :: 2.914 HD1 :: 7.318 HD2 :: 7.318 HE1 :: 7.477 HE2 :: 7.477 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.973 Ave N Shift Values>> N :: 120.45(4.18) 2.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.16 G 0.01 C Shift Assignments>> CA :: 55.518 CB :: 34.516 CG :: 24.694 CD :: 29.382 CE :: 42.274 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.917 HA :: 4.714 HB2 :: 1.726 HB3 :: 1.857 HG2 :: 1.438 HG3 :: 1.438 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.012 HE3 :: 3.012 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.923 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.386 CA :: 46.161 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.640 HA2 :: 3.909 HA3 :: 3.909 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.215 Ave N Shift Values>> N :: 109.67(3.87) 2.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 L 0.02 M 0.01 C Shift Assignments>> C :: 176.788 CA :: 50.373 CB :: 20.611 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.298 HA :: 4.544 HB1 :: 0.984 HB2 :: 0.984 HB3 :: 0.984 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.907 Ave N Shift Values>> N :: 123.23(3.54) 2.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 HN Overlap>> 1.V10 2.R40 1.V10 2.R40 C Shift Assignments>> C :: 175.955 CA :: 53.626 CB :: 18.560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.210 HA :: 4.035 HB1 :: 1.219 HB2 :: 1.219 HB3 :: 1.219 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.692 Ave N Shift Values>> N :: 123.23(3.54) 2.Y23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.360 CA :: 53.066 CB :: 39.081 CD1 :: 134.219 CE1 :: 119.026 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.261 HA :: 4.956 HB2 :: 2.893 HB3 :: 3.217 HD1 :: 6.612 HD2 :: 6.612 HE1 :: 5.739(S) HE2 :: 5.739(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.697 Ave N Shift Values>> N :: 120.52(4.2) 2.K24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.61 R 0.36 G 0.02 C Shift Assignments>> C :: 177.351 CA :: 57.065 CB :: 34.931 CG :: 25.419 CD :: 29.171 CE :: 42.515 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.799(S) HA :: 4.854 HB2 :: 1.886 HB3 :: 2.054 HG2 :: 1.687 HG3 :: 1.687 HD2 :: 1.823 HD3 :: 1.823 HE2 :: 3.105 HE3 :: 3.105 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.093 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.37 A 0.09 C Shift Assignments>> C :: 173.222 CA :: 54.159 CB :: 47.382 CG :: 27.062 CD1 :: 26.737 CD2 :: 23.935 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.238 HA :: 5.440 HB2 :: 1.348 HB3 :: 1.859 HG :: 1.449 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.300 Ave N Shift Values>> N :: 121.86(3.9) 2.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.97 R 0.01 C Shift Assignments>> C :: 175.416 CA :: 53.215 CB :: 35.616 CG :: 25.660 CD :: 44.448 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.325 HA :: 5.456 HB2 :: 1.572 HB3 :: 2.155 HG2 :: 0.849 HG3 :: 1.012 HD2 :: 3.168 HD3 :: 3.362 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.973 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.210 CA :: 59.944 CB :: 40.257 CG1 :: 27.291 CG2 :: 18.225 CD1 :: 14.505 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.753 HA :: 4.787 HB :: 1.578 HG12 :: 0.833 HG13 :: 1.448 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.662 HD12 :: 0.662 HD13 :: 0.662 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 128.927 Ave N Shift Values>> N :: 121.46(4.28) 2.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.34 R 0.01 C Shift Assignments>> C :: 175.955 CA :: 53.519 CB :: 45.100 CG :: 27.262 CD1 :: 25.084 CD2 :: 25.876 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.008 HA :: 4.957 HB2 :: 1.335 HB3 :: 1.335 HG :: 1.271 HD11 :: 0.575 HD12 :: 0.575 HD13 :: 0.575 HD21 :: 0.606 HD22 :: 0.606 HD23 :: 0.606 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.135 Ave N Shift Values>> N :: 121.86(3.9) 2.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.383 CA :: 59.944 CB :: 39.704 CG1 :: 27.473 CG2 :: 18.189 CD1 :: 15.367 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.788 HA :: 4.924 HB :: 1.617 HG12 :: 0.868 HG13 :: 1.308 HG21 :: 0.528 HG22 :: 0.528 HG23 :: 0.528 HD11 :: 0.522 HD12 :: 0.522 HD13 :: 0.522 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.418 Ave N Shift Values>> N :: 121.46(4.28) 2.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 E 0.26 Q 0.03 HN Overlap>> 2.L84 2.L84 C Shift Assignments>> C :: 175.791 CA :: 54.428 CB :: 33.478 CG :: 35.909 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.930 HA :: 5.107 HB2 :: 1.890 HB3 :: 1.969 HG2 :: 2.175 HG3 :: 2.175 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.214 Ave N Shift Values>> N :: 120.67(3.48) 2.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.89 D 0.1 HN Overlap>> 2.S59 2.S59 C Shift Assignments>> C :: 175.897 CA :: 52.559 CB :: 38.804 CG :: 175.868 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.652 HA :: 4.952 HB2 :: 2.868 HB3 :: 3.229 HD21 :: 6.726 HD22 :: 8.196 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.147 ND2 :: 112.356 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.35 A 0.01 C Shift Assignments>> C :: 176.084 CA :: 55.065 CB :: 31.679 CG :: 24.094 CD :: 28.016 CE :: 41.780 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.953 HA :: 4.320 HB2 :: 1.617 HB3 :: 2.007 HG2 :: 1.460 HG3 :: 1.460 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.853 HE3 :: 2.943 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.009 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.03 C Shift Assignments>> C :: 175.768 CA :: 49.840 CB :: 19.074 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.248 HA :: 4.776 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.261 Ave N Shift Values>> N :: 123.23(3.54) 2.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.082 CA :: 64.156 CB :: 31.547 CG :: 27.237 CD :: 50.913 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.311 HB2 :: 1.955 HB3 :: 2.252 HG2 :: 1.999 HG3 :: 2.183 HD2 :: 3.753 HD3 :: 3.855 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.22 C Shift Assignments>> C :: 175.040 CA :: 52.799 CB :: 38.459 CG :: 177.497 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.592 HA :: 4.794 HB2 :: 2.716 HB3 :: 2.895 HD21 :: 6.903 HD22 :: 7.648 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.600 ND2 :: 113.619 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.911 CA :: 58.398 CB :: 64.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.875 HA :: 4.325 HB2 :: 3.771 HB3 :: 3.869 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.534 Ave N Shift Values>> N :: 116.28(3.52) 2.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 C Shift Assignments>> C :: 174.090 CA :: 54.932 CB :: 31.472 CG :: 24.482 CD :: 29.017 CE :: 41.899 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.372 HA :: 4.472 HB2 :: 1.702 HB3 :: 1.792 HG2 :: 1.477 HG3 :: 1.477 HE2 :: 2.988 HE3 :: 2.988 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.357 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.706 CA :: 63.442 CB :: 31.893 CG :: 27.463 CD :: 50.550 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.280 HB2 :: 2.294 HB3 :: 2.294 HG2 :: 2.070 HG3 :: 2.070 HD2 :: 3.563 HD3 :: 3.563 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.D39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 R 0.26 D 0.15 K 0.09 F 0.06 Y 0.03 G 0.03 N 0.01 C Shift Assignments>> C :: 175.510 CA :: 54.885 CB :: 43.004 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.351 HA :: 4.280 HB2 :: 1.599(S) HB3 :: 2.059 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.238 Ave N Shift Values>> N :: 120.65(3.86) 2.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.15 G 0.07 HN Overlap>> 2.A22 2.A22 C Shift Assignments>> C :: 174.829 CA :: 54.905 CB :: 30.988 CG :: 26.577 CD :: 43.062 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.212 HA :: 4.285 HB2 :: 1.709 HB3 :: 1.709 HG2 :: 1.477 HG3 :: 1.552 HD2 :: 3.161 HD3 :: 3.161 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.805 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.44 C Shift Assignments>> C :: 175.275 CA :: 56.318 CB :: 41.018 CD1 :: 131.247 CE1 :: 131.523 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.696 HA :: 4.876 HB2 :: 2.747 HB3 :: 2.807 HD1 :: 6.737 HD2 :: 6.737 HE1 :: 6.602 HE2 :: 6.602 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.141 Ave N Shift Values>> N :: 120.45(4.18) 2.S42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.939(S) CA :: 54.742 CB :: 63.254 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.879 HA :: 4.874 HB2 :: 3.779 HB3 :: 3.949 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.891 Ave N Shift Values>> N :: 116.28(3.52) 2.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.800 CA :: 62.406 CB :: 32.930 CG :: 28.137 CD :: 50.248 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.279 HB2 :: 1.871 HB3 :: 2.076 HG2 :: 1.520 HG3 :: 1.520 HD2 :: 3.474 HD3 :: 3.792 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.260 CA :: 57.385 CB :: 65.666 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.261 HA :: 5.267 HB2 :: 3.562 HB3 :: 3.779 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.569 Ave N Shift Values>> N :: 116.28(3.52) 2.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.234 CA :: 56.185 CB :: 41.710 CD1 :: 131.970 CE1 :: 117.815 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.221 HA :: 5.335 HB2 :: 2.612 HB3 :: 2.733 HD1 :: 6.531 HD2 :: 6.531 HE1 :: 6.504 HE2 :: 6.504 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.280 Ave N Shift Values>> N :: 120.52(4.2) 2.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.12 C Shift Assignments>> C :: 174.430 CA :: 51.706 CB :: 39.496 CG :: 175.781 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.078 HA :: 4.875 HB2 :: 2.640 HB3 :: 2.834 HD21 :: 6.881 HD22 :: 7.444 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.676 ND2 :: 112.425 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 F 0.45 C Shift Assignments>> C :: 176.941 CA :: 59.757 CB :: 39.427 CD1 :: 132.377 CE1 :: 131.736 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.960 HA :: 4.019 HB2 :: 3.069 HB3 :: 3.217 HD1 :: 7.388 HD2 :: 7.388 HE1 :: 7.390 HE2 :: 7.390 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.918 Ave N Shift Values>> N :: 120.45(4.18) 2.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 I 0.02 C Shift Assignments>> C :: 179.709 CA :: 54.905 CB :: 18.473 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.124 HA :: 4.054 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.848 Ave N Shift Values>> N :: 123.23(3.54) 2.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.36 Q 0.05 K 0.01 C Shift Assignments>> C :: 176.037 CA :: 55.545 CB :: 31.404 CG :: 36.376 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.548 HA :: 4.241 HB2 :: 1.431 HB3 :: 2.115 HG2 :: 2.114 HG3 :: 2.114 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.303 Ave N Shift Values>> N :: 120.67(3.48) 2.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.86 D 0.1 E 0.02 C Shift Assignments>> C :: 173.480 CA :: 53.706 CB :: 36.937 CG :: 177.796 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.961 HA :: 4.294 HB2 :: 2.558 HB3 :: 3.406 HD21 :: 6.638 HD22 :: 7.047 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.281 ND2 :: 113.559 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 G 0.11 C Shift Assignments>> C :: 173.480 CA :: 59.817 CB :: 42.818 CG1 :: 27.498 CG2 :: 17.300 CD1 :: 13.122 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.088 HA :: 4.468 HB :: 1.317 HG12 :: 0.636 HG13 :: 1.447 HG21 :: 0.346 HG22 :: 0.346 HG23 :: 0.346 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.853 Ave N Shift Values>> N :: 121.46(4.28) 2.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.46 R 0.05 A 0.01 HN Overlap>> 2.V68 2.V68 C Shift Assignments>> C :: 174.383 CA :: 53.066 CB :: 44.448 CG :: 26.971 CD1 :: 26.736 CD2 :: 24.143 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.513 HA :: 5.058 HB2 :: 1.216 HB3 :: 1.931 HG :: 1.418 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.240 Ave N Shift Values>> N :: 121.86(3.9) 2.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.052 CA :: 58.451 CB :: 38.874 CD1 :: 133.645 CE1 :: 117.746 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.413 HA :: 4.573 HB2 :: 2.908 HB3 :: 3.083 HD1 :: 7.044 HD2 :: 7.044 HE1 :: 6.642 HE2 :: 6.642 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 130.391 Ave N Shift Values>> N :: 120.52(4.2) 2.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 V 0.01 A 0.01 C Shift Assignments>> C :: 174.782 CA :: 60.610 CB :: 35.992 CG1 :: 25.753 CG2 :: 17.981 CD1 :: 8.961 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.320 HA :: 3.998 HB :: 1.792 HG12 :: 0.888 HG13 :: 1.279 HG21 :: 0.517 HG22 :: 0.517 HG23 :: 0.517 HD11 :: 0.350 HD12 :: 0.350 HD13 :: 0.350 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.110 Ave N Shift Values>> N :: 121.46(4.28) 2.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.96 D 0.03 C Shift Assignments>> C :: 175.134 CA :: 52.598 CB :: 37.559 CG :: 175.768 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.008 HA :: 4.351 HB2 :: 3.228 HB3 :: 3.466 HD21 :: 6.352 HD22 :: 7.243 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.344 ND2 :: 108.594 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.137 CA :: 46.934 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.923 HA3 :: 3.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 G 0.01 C Shift Assignments>> C :: 175.721 CA :: 55.438 CB :: 34.284 CG :: 24.780 CD :: 28.922 CE :: 42.091 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.980 HA :: 4.581 HB2 :: 1.846 HB3 :: 2.063 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 1.736 HD3 :: 1.736 HE2 :: 3.011 HE3 :: 3.045 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.097 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.29 R 0.05 A 0.04 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 173.257 CA :: 55.026 CB :: 44.269 CG :: 26.800 CD1 :: 25.689 CD2 :: 22.869 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.571 HA :: 4.743 HB2 :: 1.234 HB3 :: 1.234 HG :: 0.973 HD11 :: 0.313 HD12 :: 0.313 HD13 :: 0.313 HD21 :: 0.702 HD22 :: 0.702 HD23 :: 0.702 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.332 Ave N Shift Values>> N :: 121.86(3.9) 2.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 HN Overlap>> 2.N31 2.N31 C Shift Assignments>> C :: 172.596 CA :: 57.571 CB :: 66.296 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.553 HA :: 4.903 HB2 :: 3.496 HB3 :: 3.678 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.187 Ave N Shift Values>> N :: 116.28(3.52) 2.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.06 HN Overlap>> 2.I86 2.I86 C Shift Assignments>> C :: 173.205 CA :: 57.771 CB :: 41.049 CG1 :: 26.731 CG2 :: 17.097 CD1 :: 14.235 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.056 HA :: 4.582 HB :: 1.843 HG12 :: 1.037 HG13 :: 1.252 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.648 HD12 :: 0.648 HD13 :: 0.648 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.240 Ave N Shift Values>> N :: 121.46(4.28) 2.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.389 CA :: 62.348 CB :: 31.334 CG :: 27.533 CD :: 51.335 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.670 HB2 :: 1.929 HB3 :: 2.279 HG2 :: 2.180 HG3 :: 2.180 HD2 :: 3.823 HD3 :: 3.823 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.22 C Shift Assignments>> C :: 174.656 CA :: 52.383 CB :: 40.113 CG :: 26.854 CD1 :: 23.186 CD2 :: 26.555 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.050 HA :: 4.637 HB2 :: 1.183 HB3 :: 1.849 HG :: 1.731 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.791 Ave N Shift Values>> N :: 121.86(3.9) 2.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.574 CA :: 62.816 CB :: 32.169 CG :: 27.835 CD :: 50.188 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.477 HB2 :: 1.982 HB3 :: 2.434 HG2 :: 1.962 HG3 :: 2.102 HD2 :: 3.298 HD3 :: 3.686 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.09 K 0.08 C Shift Assignments>> C :: 176.295 CA :: 57.465 CB :: 30.157 CG :: 27.231 CD :: 43.266 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.640 HA :: 4.140 HB2 :: 1.847 HB3 :: 1.954 HG2 :: 1.759 HG3 :: 1.791 HD2 :: 3.260 HD3 :: 3.260 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.930 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.28 F 0.11 L 0.1 Y 0.1 C Shift Assignments>> C :: 175.101 CA :: 53.839 CB :: 39.565 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.635 HA :: 4.507 HB2 :: 2.577 HB3 :: 2.868 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.740 Ave N Shift Values>> N :: 120.65(3.86) 2.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.340 CA :: 59.810 CB :: 38.832 CG1 :: 26.600 CG2 :: 17.373 CD1 :: 13.121 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.214 HA :: 4.270 HB :: 1.844 HG12 :: 1.185 HG13 :: 1.367 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.493 Ave N Shift Values>> N :: 121.46(4.28) 2.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.593 CA :: 62.396 CB :: 31.887 CG1 :: 21.037 CG2 :: 21.064 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.339 HA :: 4.038 HB :: 1.930 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.767 Ave N Shift Values>> N :: 121.14(4.54) 2.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.L52 2.L52 C Shift Assignments>> C :: 174.773 CA :: 62.298 CB :: 32.924 CG1 :: 20.860 CG2 :: 21.273 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.545 HA :: 3.937 HB :: 1.864 HG11 :: 0.267 HG12 :: 0.267 HG13 :: 0.267 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.204 Ave N Shift Values>> N :: 121.14(4.54) 2.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.22 C Shift Assignments>> C :: 176.131 CA :: 51.680 CB :: 39.635 CG :: 176.863 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.492 HA :: 4.984 HB2 :: 2.693 HB3 :: 2.935 HD21 :: 6.926 HD22 :: 7.720 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.274 ND2 :: 113.812 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.41 I 0.04 V 0.01 C Shift Assignments>> C :: 178.216 CA :: 55.518 CB :: 18.645 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.258 HA :: 3.667 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.980 Ave N Shift Values>> N :: 123.23(3.54) 2.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.31 C Shift Assignments>> C :: 177.818 CA :: 53.759 CB :: 18.337 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.193 HA :: 4.167 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.387 Ave N Shift Values>> N :: 123.23(3.54) 2.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.26 K 0.17 R 0.09 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 176.108 CA :: 54.452 CB :: 42.056 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.836 HA :: 4.746 HB2 :: 2.693 HB3 :: 3.069 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.714 Ave N Shift Values>> N :: 120.65(3.86) 2.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.148 CA :: 63.189 CB :: 37.628 CG1 :: 27.106 CG2 :: 16.840 CD1 :: 12.704 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.169 HA :: 4.112 HB :: 1.778 HG12 :: 0.734 HG13 :: 0.913 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 HD11 :: 0.394 HD12 :: 0.394 HD13 :: 0.394 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.270 Ave N Shift Values>> N :: 121.46(4.28) 2.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.23 A 0.04 G 0.03 C Shift Assignments>> C :: 174.340 CA :: 53.804 CB :: 33.962 CG :: 23.762 CD :: 28.197 CE :: 42.331 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.664 HA :: 4.377 HB2 :: 1.354 HB3 :: 1.819 HG2 :: 1.491 HG3 :: 1.491 HD2 :: 1.496 HD3 :: 1.496 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 129.076 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.293 CA :: 60.877 CB :: 37.952 CG1 :: 27.062 CG2 :: 18.612 CD1 :: 13.914 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.064 HA :: 4.925 HB :: 2.041 HG12 :: 0.840 HG13 :: 1.466 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 HD11 :: 0.515 HD12 :: 0.515 HD13 :: 0.515 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.555 Ave N Shift Values>> N :: 121.46(4.28) 2.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.83 G 0.11 F 0.05 C Shift Assignments>> C :: 174.574 CA :: 55.352 CB :: 42.609 CD1 :: 128.393 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.404 HA :: 5.792 HB2 :: 2.743 HB3 :: 2.855 HD1 :: 7.342 HD2 :: 7.342 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.411 Ave N Shift Values>> N :: 120.45(4.18) 2.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.223 CA :: 53.120 CB :: 33.616 CD2 :: 120.173 CE1 :: 138.451 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.213 HA :: 5.529 HB2 :: 2.631 HB3 :: 3.164 HD2 :: 7.065 HE1 :: 7.883 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.941 ND1 :: 221.709 NE2 :: 182.566 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.705 CA :: 60.182 CB :: 36.314 CG1 :: 26.196 CG2 :: 18.744 CD1 :: 12.779 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.506 HA :: 4.884 HB :: 2.115 HG12 :: 0.910 HG13 :: 1.427 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.582 Ave N Shift Values>> N :: 121.46(4.28) 2.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.04 C Shift Assignments>> C :: 180.569 CA :: 60.332 CB :: 29.673 CG :: 27.346 CD :: 43.251 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.736 HA :: 3.685 HB2 :: 1.661 HB3 :: 1.715 HG2 :: 1.433 HG3 :: 1.521 HD2 :: 3.211 HD3 :: 3.211 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.451 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 C Shift Assignments>> C :: 176.986 CA :: 59.068 CB :: 32.063 CG :: 24.969 CD :: 29.170 CE :: 41.883 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.136 HA :: 4.176 HB2 :: 1.854 HB3 :: 1.987 HG2 :: 1.477 HG3 :: 1.477 HD2 :: 1.732 HD3 :: 1.732 HE2 :: 3.045 HE3 :: 3.045 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.234 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.34 Q 0.04 K 0.02 C Shift Assignments>> C :: 176.764 CA :: 55.385 CB :: 31.281 CG :: 36.429 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.139 HA :: 4.583 HB2 :: 1.968 HB3 :: 2.467 HG2 :: 2.307 HG3 :: 2.307 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.154 Ave N Shift Values>> N :: 120.67(3.48) 2.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 L 0.26 G 0.11 K 0.07 HN Overlap>> 2.Y11 2.Y11 C Shift Assignments>> C :: 175.169 CA :: 56.772 CB :: 28.163 CG :: 27.079 CD :: 43.421 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.426 HA :: 4.613 HB2 :: 2.330 HB3 :: 2.330 HG2 :: 1.778 HG3 :: 1.778 HD2 :: 3.336 HD3 :: 3.336 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.949 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.022 CA :: 61.476 CB :: 72.770 CG2 :: 21.723 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.335 HA :: 5.406 HB :: 3.817 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.019 Ave N Shift Values>> N :: 115.42(4.75) 2.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.29 A 0.01 HN Overlap>> 2.E30 2.E30 C Shift Assignments>> C :: 174.223 CA :: 52.959 CB :: 45.584 CG :: 25.850 CD1 :: 24.126 CD2 :: 24.144 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.942 HA :: 5.109 HB2 :: 0.853 HB3 :: 1.241 HG :: 0.985 HD11 :: -000.02 HD12 :: -000.02 HD13 :: -000.02 HD21 :: 0.159 HD22 :: 0.159 HD23 :: 0.159 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.320 Ave N Shift Values>> N :: 121.86(3.9) 2.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 174.551 CA :: 57.225 CB :: 41.917 CD1 :: 133.169 CE1 :: 118.236 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.390 HA :: 4.814 HB2 :: 2.892 HB3 :: 3.190 HD1 :: 6.921 HD2 :: 6.921 HE1 :: 6.666 HE2 :: 6.666 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.629 Ave N Shift Values>> N :: 120.52(4.2) 2.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.I60 2.I60 C Shift Assignments>> C :: 174.153 CA :: 59.786 CB :: 39.773 CG1 :: 27.308 CG2 :: 16.839 CD1 :: 14.877 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.028 HA :: 5.003 HB :: 1.751 HG12 :: 0.821 HG13 :: 1.356 HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 HD11 :: 0.507 HD12 :: 0.507 HD13 :: 0.507 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.148 Ave N Shift Values>> N :: 121.46(4.28) 2.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.492 CA :: 57.544 CB :: 40.396 CD1 :: 131.580 CE1 :: 116.511 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.402 HA :: 5.196 HB2 :: 2.526 HB3 :: 2.718 HD1 :: 6.949 HD2 :: 6.949 HE1 :: 6.361 HE2 :: 6.361 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.831 Ave N Shift Values>> N :: 120.52(4.2) 2.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.04 C Shift Assignments>> C :: 179.433 CA :: 63.920 CB :: 42.133 CG1 :: 28.473 CG2 :: 18.798 CD1 :: 15.018 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.998 HA :: 4.152 HB :: 1.661 HG12 :: 0.861 HG13 :: 1.467 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.850 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 111 #Suspicious: 0 C Shift Results: #Consistent: 489 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 793 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Y20 HD1 = 5.641(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.7339e-05 1.Y20 HD2 = 5.641(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.7339e-05 2.Y23 HE1 = 5.739(S), Expected = 6.70, Std = 0.2300, ChiSquare = 2.9375e-05 2.Y23 HE2 = 5.739(S), Expected = 6.71, Std = 0.2300, ChiSquare = 2.4242e-05 2.K24 H = 10.799(S), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3718e-05 2.D39 HB2 = 1.599(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.6212e-05 2.S42 C = 181.939(S), Expected = 174.62, Std = 1.7200, ChiSquare = 2.0883e-05