Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 Q 0.26 K 0.19 E 0.1 H 0.04 R 0.03 W 0.02 N 0.01 V 0.01 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> CA :: 55.257 CB :: 34.517 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 :: 8.313 HA :: 4.484 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.425 HG3 :: 2.257 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 :: 120.668 Ave N Shift Values>> N :: 120.09(3.57) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.32 M 0.13 E 0.11 R 0.01 I 0.01 C Shift Assignments>> CA :: 57.874 CB :: 29.938 CG :: 33.748 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 :: 9.455 HA :: 4.030 HB2 :: 1.512 HB3 :: 1.489 HG2 :: 2.422 HG3 :: 1.908 HE21 :: 7.554 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 :: 123.739 NE2 :: 113.035 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 H 0.18 M 0.15 W 0.13 E 0.12 Q 0.11 K 0.1 C Shift Assignments>> CA :: 55.494 CB :: 31.015 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 :: 9.783 HA :: 5.116 HB2 :: 3.342 HB3 :: 3.089 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 :: 119.115 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.3 I 0.09 V 0.05 L 0.01 T 0.01 C Shift Assignments>> CA :: 56.479 CB :: 19.194 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.551 HA :: 3.903 HB1 :: 1.555 HB2 :: 1.555 HB3 :: 1.555 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.648 Ave N Shift Values>> N :: 123.23(3.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.117 CB :: 62.334 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.736 HA :: 4.298 HB2 :: 4.026 HB3 :: 4.026 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 :: 112.599 Ave N Shift Values>> N :: 116.28(3.52) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.732 CB :: 32.737 CG1 :: 22.360 CG2 :: 21.983 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 :: 7.660 HA :: 4.105 HB :: 2.577 HG11 :: 1.385 HG12 :: 1.385 HG13 :: 1.385 HG21 :: 1.385 HG22 :: 1.385 HG23 :: 1.385 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 :: 122.866 Ave N Shift Values>> N :: 121.14(4.54) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.329 CB :: 38.693 CG1 :: 29.307 CG2 :: 19.596 CD1 :: 15.066 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 :: 8.519 HA :: 4.224 HB :: 1.953 HG12 :: 2.367 HG13 :: 1.378 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 HD11 :: 1.026 HD12 :: 1.026 HD13 :: 1.026 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 :: 121.715 Ave N Shift Values>> N :: 121.46(4.28) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.27 I 0.09 V 0.02 C Shift Assignments>> CA :: 56.257 CB :: 18.640 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.940 HA :: 3.895 HB1 :: 1.575 HB2 :: 1.575 HB3 :: 1.575 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.373 Ave N Shift Values>> N :: 123.23(3.54) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 R 0.13 E 0.06 I 0.04 M 0.02 C Shift Assignments>> CA :: 59.192 CB :: 28.138 CG :: 33.708 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 :: 7.729 HA :: 3.870 HB2 :: 2.263 HB3 :: 2.263 HG2 :: 2.478 HG3 :: 2.419 HE21 :: 6.890 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 :: 115.076 NE2 :: 113.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 F 0.32 C Shift Assignments>> CA :: 60.893 CB :: 38.932 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 :: 7.301 HA :: 4.085 HB2 :: 2.416 HB3 :: 2.416 HD1 :: 7.199 HD2 :: 7.199 HE1 :: 6.436 HE2 :: 6.836 HZ :: 6.759 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 :: 120.207 Ave N Shift Values>> N :: 120.45(4.18) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.508 CB :: 31.487 CG1 :: 22.830 CG2 :: 22.830 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 :: 8.370 HA :: 3.307 HB :: 2.212 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 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 :: 117.569 Ave N Shift Values>> N :: 121.14(4.54) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.876 CB :: 31.312 CG1 :: 21.849 CG2 :: 21.849 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 :: 8.294 HA :: 3.741 HB :: 2.247 HG11 :: 0.955 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 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 :: 117.909 Ave N Shift Values>> N :: 121.14(4.54) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.33 K 0.07 M 0.02 Q 0.02 C Shift Assignments>> CA :: 59.307 CB :: 29.489 CG :: 36.785 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 :: 7.750 HA :: 3.742 HB2 :: 2.017 HB3 :: 1.786 HG2 :: 2.423 HG3 :: 2.202 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 :: 117.918 Ave N Shift Values>> N :: 120.67(3.48) 1.E16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.36 Q 0.28 K 0.23 M 0.08 I 0.02 C Shift Assignments>> CA :: 56.800 CB :: 29.643 CG :: 35.134 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 :: 7.603 HA :: 3.778 HB2 :: 0.370(S) HB3 :: 0.370(S) HG2 :: 1.283(S) HG3 :: 0.937(S) 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 :: 113.478 Ave N Shift Values>> N :: 120.67(3.48) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 F 0.22 L 0.18 R 0.15 D 0.06 I 0.03 C Shift Assignments>> CA :: 58.095 CB :: 42.095 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 :: 7.908 HA :: 4.939 HB2 :: 3.262 HB3 :: 2.765 HD1 :: 7.223 HD2 :: 7.223 HE1 :: 7.101 HE2 :: 7.101 HZ :: 7.285 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 :: 114.193 Ave N Shift Values>> N :: 120.45(4.18) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 A 0.02 HN Overlap>> 1.W49 1.W49 C Shift Assignments>> CA :: 52.377 CB :: 44.733 CG :: 24.091 CD1 :: 25.452 CD2 :: 25.452 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 :: 8.015 HA :: 4.967 HB2 :: 1.651 HB3 :: 1.412 HG :: 0.905 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 121.492 Ave N Shift Values>> N :: 121.86(3.9) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.858 CB :: 31.829 CG :: 27.512 CD :: 49.846 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 :: 4.383 HB2 :: 2.182 HB3 :: 1.855 HG2 :: 1.836 HG3 :: 1.793 HD2 :: 3.546 HD3 :: 3.226 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.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.16 F 0.15 K 0.06 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> CA :: 54.688 CB :: 40.626 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 :: 8.399 HA :: 4.568 HB2 :: 2.760 HB3 :: 2.651 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 :: 116.508 Ave N Shift Values>> N :: 120.65(3.86) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.293 CB :: 33.582 CG1 :: 21.876 CG2 :: 21.876 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 :: 7.760 HA :: 4.118 HB :: 2.055 HG11 :: 0.847 HG12 :: 0.847 HG13 :: 0.847 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 122.135 Ave N Shift Values>> N :: 121.14(4.54) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> CA :: 50.270 CB :: 17.428 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.761 HA :: 4.599 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.301 Ave N Shift Values>> N :: 123.23(3.54) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.203 CB :: 31.408 CG :: 27.685 CD :: 50.125 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 :: 4.077 HB2 :: 2.043 HB3 :: 2.043 HG2 :: 2.256 HG3 :: 1.734 HD2 :: 3.899 HD3 :: 3.899 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.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 C Shift Assignments>> CA :: 53.996 CB :: 18.844 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.064 HA :: 4.117 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.106 Ave N Shift Values>> N :: 123.23(3.54) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.27 K 0.14 F 0.1 N 0.09 R 0.02 C Shift Assignments>> CA :: 54.336 CB :: 41.353 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 :: 8.003 HA :: 4.677 HB2 :: 2.848 HB3 :: 2.778 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 :: 115.541 Ave N Shift Values>> N :: 120.65(3.86) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.345 CB :: 31.733 CG1 :: 21.769 CG2 :: 21.769 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 :: 7.069 HA :: 3.821 HB :: 1.962 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 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 :: 121.517 Ave N Shift Values>> N :: 121.14(4.54) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 K 0.17 R 0.14 F 0.07 N 0.03 C Shift Assignments>> CA :: 54.566 CB :: 42.333 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 :: 8.474 HA :: 4.574 HB2 :: 2.746 HB3 :: 2.746 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 :: 129.329 Ave N Shift Values>> N :: 120.65(3.86) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.518 CB :: 31.198 CG1 :: 21.330 CG2 :: 21.330 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 :: 8.591 HA :: 4.108 HB :: 2.199 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 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 :: 121.920 Ave N Shift Values>> N :: 121.14(4.54) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.23 R 0.18 K 0.13 F 0.06 N 0.02 G 0.01 C Shift Assignments>> CA :: 54.181 CB :: 42.575 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 :: 8.609 HA :: 5.145 HB2 :: 2.909 HB3 :: 2.445 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 :: 116.286 Ave N Shift Values>> N :: 120.65(3.86) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 R 0.2 G 0.1 C Shift Assignments>> CA :: 56.087 CB :: 43.321 CG :: 26.902 CD1 :: 25.984 CD2 :: 25.984 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 :: 7.374 HA :: 4.011 HB2 :: 1.883 HB3 :: 1.565 HG :: 1.290 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.929 HD22 :: 0.929 HD23 :: 0.929 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 :: 125.116 Ave N Shift Values>> N :: 121.86(3.9) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.26 K 0.13 N 0.11 F 0.08 R 0.02 C Shift Assignments>> CA :: 53.920 CB :: 41.379 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 :: 8.699 HA :: 4.834 HB2 :: 2.949 HB3 :: 2.462 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 :: 125.924 Ave N Shift Values>> N :: 120.65(3.86) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.01 C Shift Assignments>> CA :: 56.388 CB :: 42.239 CG :: 26.701 CD1 :: 25.231 CD2 :: 25.231 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 :: 9.718 HA :: 3.917 HB2 :: 1.668 HB3 :: 1.237 HG :: 2.097 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 129.975 Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.433 CB :: 32.175 CG1 :: 21.669 CG2 :: 21.669 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 :: 8.163 HA :: 4.193 HB :: 2.192 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 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 :: 121.212 Ave N Shift Values>> N :: 121.14(4.54) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 L 0.21 D 0.18 K 0.14 I 0.06 N 0.02 C Shift Assignments>> CA :: 57.225 CB :: 40.735 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 :: 9.385 HA :: 4.358 HB2 :: 2.533 HB3 :: 2.943 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 :: 124.893 Ave N Shift Values>> N :: 120.65(3.86) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.25 F 0.12 L 0.08 C Shift Assignments>> CA :: 53.886 CB :: 39.006 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 :: 7.396 HA :: 4.720 HB2 :: 2.877 HB3 :: 2.750 HD21 :: 6.845 HD22 :: 8.169 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 :: 111.484 ND2 :: 113.931 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> CA :: 46.607 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.618 HA2 :: 3.980 HA3 :: 3.822 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.957 Ave N Shift Values>> N :: 109.67(3.87) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.125 CB :: 31.879 CG1 :: 21.874 CG2 :: 21.874 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 :: 7.792 HA :: 3.766 HB :: 2.185 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.912 HG22 :: 0.912 HG23 :: 0.912 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 :: 120.424 Ave N Shift Values>> N :: 121.14(4.54) 1.I38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.685 CB :: 38.807 CG1 :: 26.280 CG2 :: 16.753 CD1 :: 12.898 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 :: 7.331 HA :: 3.737 HB :: 1.209 HG12 :: 0.839 HG13 :: -0.260(S) HG21 :: 0.435 HG22 :: 0.435 HG23 :: 0.435 HD11 :: 0.422 HD12 :: 0.422 HD13 :: 0.422 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 :: 116.364 Ave N Shift Values>> N :: 121.46(4.28) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 N 0.26 L 0.19 K 0.05 F 0.04 C Shift Assignments>> CA :: 51.616 CB :: 41.209 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 :: 7.874 HA :: 4.664 HB2 :: 3.218 HB3 :: 2.700 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 :: 127.306 Ave N Shift Values>> N :: 120.65(3.86) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.23 I 0.1 V 0.01 C Shift Assignments>> CA :: 56.292 CB :: 18.312 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.244 HA :: 3.995 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.352 Ave N Shift Values>> N :: 123.23(3.54) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 57.355 CB :: 41.236 CG :: 26.947 CD1 :: 24.358 CD2 :: 24.358 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 :: 7.688 HA :: 4.250 HB2 :: 1.899 HB3 :: 1.625 HG :: 1.624 HD11 :: 0.933 HD12 :: 0.933 HD13 :: 0.933 HD21 :: 0.993 HD22 :: 0.993 HD23 :: 0.993 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 :: 117.438 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 P 0.29 A 0.12 N 0.04 L 0.02 D 0.01 C Shift Assignments>> CA :: 48.099 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.732 HA2 :: 4.104 HA3 :: 3.984 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.015 Ave N Shift Values>> N :: 109.67(3.87) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> CA :: 58.332 CB :: 41.639 CG :: 26.820 CD1 :: 24.358 CD2 :: 24.358 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 :: 8.548 HA :: 3.851 HB2 :: 1.601 HB3 :: 1.628 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 122.983 Ave N Shift Values>> N :: 121.86(3.9) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 HN Overlap>> 1.F68 1.F68 C Shift Assignments>> CA :: 58.064 CB :: 40.940 CG :: 26.878 CD1 :: 25.586 CD2 :: 25.586 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 :: 7.168 HA :: 4.028 HB2 :: 2.078 HB3 :: 1.568 HG :: 1.953 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.981 HD22 :: 0.981 HD23 :: 0.981 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 :: 116.076 Ave N Shift Values>> N :: 121.86(3.9) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.8 R 0.18 C Shift Assignments>> CA :: 59.644 CB :: 32.527 CG :: 25.477 CD :: 29.531 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 :: 7.640 HA :: 4.284 HB2 :: 2.420 HG2 :: 1.804 HG3 :: 1.570 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.911 HE3 :: 2.911 HZ1 :: 7.228(U) HZ2 :: 7.228(U) HZ3 :: 7.228(U) 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 :: 119.831 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CB :: 31.643 CG1 :: 20.920 CG2 :: 22.747 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 :: 8.269 HA :: 3.949 HB :: 2.375 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 1.311 HG22 :: 1.311 HG23 :: 1.311 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 :: 121.046 Ave N Shift Values>> N :: 121.14(4.54) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.148 CB :: 38.277 CG1 :: 29.626 CG2 :: 17.385 CD1 :: 13.416 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 :: 8.145 HA :: 3.404 HB :: 1.736 HG12 :: 1.361 HG13 :: 0.642 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 HD11 :: 0.599 HD12 :: 0.599 HD13 :: 0.599 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 :: 119.333 Ave N Shift Values>> N :: 121.46(4.28) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.03 C Shift Assignments>> CA :: 55.164 CB :: 18.368 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.792 HA :: 4.257 HB1 :: 1.563 HB2 :: 1.563 HB3 :: 1.563 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.213 Ave N Shift Values>> N :: 123.23(3.54) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 P 0.18 W 0.1 K 0.04 R 0.03 E 0.03 H 0.02 Q 0.02 V 0.02 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> CA :: 61.670 CB :: 28.239 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.093 HA :: 4.234 HB2 :: 3.045 HB3 :: 2.970 HD1 :: 7.314 HE1 :: 9.933 HE3 :: 7.105 HZ2 :: 7.231 HZ3 :: 6.479 HH2 :: 6.714 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.416 NE1 :: 128.571 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 R 0.46 G 0.03 K 0.01 C Shift Assignments>> CA :: 58.195 CB :: 42.251 CG :: 26.391 CD1 :: 24.423 CD2 :: 27.552 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 :: 8.693 HA :: 3.586 HB2 :: 2.187 HB3 :: 1.298 HG :: 2.254 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 118.963 Ave N Shift Values>> N :: 121.86(3.9) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.27 K 0.1 Q 0.05 M 0.02 C Shift Assignments>> CA :: 59.862 CB :: 29.586 CG :: 36.103 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 :: 7.771 HA :: 4.050 HB2 :: 2.214 HB3 :: 2.083 HG2 :: 2.293 HG3 :: 2.204 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 :: 119.131 Ave N Shift Values>> N :: 120.67(3.48) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 L 0.23 R 0.21 F 0.16 D 0.08 I 0.01 HN Overlap>> 1.T83 1.T83 C Shift Assignments>> CA :: 57.355 CB :: 42.383 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 :: 7.697 HA :: 4.237 HB2 :: 2.676 HB3 :: 2.562 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 :: 119.941 Ave N Shift Values>> N :: 120.65(3.86) 1.R53 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> K 0.65 R 0.19 L 0.14 C Shift Assignments>> CA :: 56.364 CB :: 29.315 CG :: 25.612 CD :: 41.726 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 :: 8.881 HA :: 3.736 HB2 :: 0.612(S) HB3 :: 0.221(S) HG2 :: 0.424(S) HG3 :: -0.258(S) HD2 :: 2.846 HD3 :: 2.688 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 :: 116.911 NE :: 117.535(A) 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.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 L 0.2 K 0.18 D 0.16 I 0.06 N 0.02 R 0.01 C Shift Assignments>> CA :: 57.413 CB :: 40.892 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 :: 7.284 HA :: 4.675 HB2 :: 3.095 HB3 :: 2.630 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 :: 112.328 Ave N Shift Values>> N :: 120.45(4.18) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> CA :: 46.801 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.427 HA2 :: 3.974 HA3 :: 3.933 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.826 Ave N Shift Values>> N :: 109.67(3.87) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.685 CB :: 39.490 CG1 :: 27.050 CG2 :: 17.513 CD1 :: 15.232 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 :: 6.876 HA :: 3.951 HB :: 1.452 HG12 :: 1.324 HG13 :: 1.324 HG21 :: 0.810 HG22 :: 0.810 HG23 :: 0.810 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 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 :: 119.127 Ave N Shift Values>> N :: 121.46(4.28) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.06 C Shift Assignments>> CA :: 51.610 CB :: 19.262 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.499 HA :: 4.414 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.823 Ave N Shift Values>> N :: 123.23(3.54) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C Shift Assignments>> CA :: 53.474 CB :: 19.244 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.641 HA :: 4.269 HB1 :: 1.374 HB2 :: 1.374 HB3 :: 1.374 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.300 Ave N Shift Values>> N :: 123.23(3.54) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.25 F 0.16 K 0.12 N 0.09 R 0.01 I 0.01 C Shift Assignments>> CA :: 55.226 CB :: 40.922 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 :: 8.337 HA :: 4.479 HB2 :: 2.669 HB3 :: 2.581 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 :: 116.395 Ave N Shift Values>> N :: 120.65(3.86) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.28 K 0.2 F 0.12 N 0.05 R 0.04 C Shift Assignments>> CA :: 55.144 CB :: 41.504 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 :: 8.027 HA :: 4.636 HB2 :: 2.771 HB3 :: 2.730 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 :: 118.557 Ave N Shift Values>> N :: 120.65(3.86) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 P 0.27 W 0.03 K 0.03 R 0.01 Q 0.01 I 0.01 M 0.01 H 0.01 C Shift Assignments>> CA :: 62.300 CB :: 33.078 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 :: 7.716 HA :: 4.176 HB :: 2.167 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 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 :: 118.898 Ave N Shift Values>> N :: 121.14(4.54) 1.E62 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 K 0.08 C Shift Assignments>> CA :: 56.546 CB :: 29.782 CG :: 36.296 CD :: 36.431(A) 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 :: 8.367 HA :: 4.284 HB2 :: 2.110 HB3 :: 1.993 HG2 :: 2.300 HG3 :: 2.196 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 :: 122.888 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CD > CA : 1.0000) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.01 G 0.01 C Shift Assignments>> CA :: 54.816 CB :: 41.937 CG :: 26.750 CD1 :: 24.657 CD2 :: 24.657 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 :: 8.198 HA :: 4.358 HB2 :: 1.713 HB3 :: 1.525 HG :: 1.654 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 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 :: 124.827 Ave N Shift Values>> N :: 121.86(3.9) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.732 CB :: 64.017 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 4.809 HB2 :: 3.839 HB3 :: 3.608 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 :: 118.715 Ave N Shift Values>> N :: 116.28(3.52) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.896 CB :: 32.052 CG :: 27.457 CD :: 51.093 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 :: 4.253 HB2 :: 2.283 HB3 :: 1.962 HG2 :: 1.994 HG3 :: 1.742 HD2 :: 3.847 HD3 :: 3.839 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.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 K 0.2 I 0.17 Q 0.15 R 0.01 M 0.01 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> CA :: 58.719 CB :: 28.681 CG :: 35.644 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 :: 8.316 HA :: 3.873 HB2 :: 1.849 HB3 :: 1.717 HG2 :: 2.071 HG3 :: 1.936 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 :: 116.554 Ave N Shift Values>> N :: 120.67(3.48) 1.H67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.17 E 0.17 H 0.15 R 0.14 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.652 CB :: 29.882 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 :: 7.274 HA :: 4.280 HB2 :: 2.147 HB3 :: 1.727(S) HD2 :: 7.006 HE1 :: 6.785 HE2 :: 6.780 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 :: 115.487 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 N 0.26 D 0.22 L 0.1 I 0.05 E 0.02 M 0.01 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> CA :: 55.782 CB :: 38.908 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 :: 7.239 HA :: 4.766 HB2 :: 3.269 HB3 :: 2.587 HZ :: 6.814 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 :: 116.127 Ave N Shift Values>> N :: 120.45(4.18) 1.R69 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.6 K 0.31 G 0.07 C Shift Assignments>> CA :: 58.287 CB :: 31.760 CG :: 28.144 CD :: 43.176 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 :: 6.628 HA :: 4.085 HB2 :: 1.977 HB3 :: 1.806 HG2 :: 1.744 HG3 :: 1.545 HD2 :: 3.375 HD3 :: 3.093 HE :: 8.444 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 :: 112.468 NE :: 118.042(A) NH2 :: 118.258(A) 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.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 S 0.35 C Shift Assignments>> CA :: 55.785 CB :: 67.691 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.145 HA :: 4.980 HB2 :: 4.409 HB3 :: 3.743 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 :: 109.305 Ave N Shift Values>> N :: 116.28(3.52) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.754 CB :: 37.296 CG1 :: 29.685 CG2 :: 17.203 CD1 :: 13.637 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 :: 9.775 HA :: 3.676 HB :: 2.002 HG12 :: 2.025 HG13 :: 1.086 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 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 :: 122.602 Ave N Shift Values>> N :: 121.46(4.28) 1.R72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.77 K 0.16 G 0.06 C Shift Assignments>> CA :: 60.533 CB :: 30.418 CG :: 27.391 CD :: 42.660 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 :: 8.910 HA :: 3.955 HB2 :: 1.785 HG2 :: 1.469 HG3 :: 1.189 HD2 :: 3.407 HD3 :: 3.018 HE :: 9.356 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 :: 118.764 NE :: 116.937(A) 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.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.287 CB :: 63.278 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.518 HA :: 4.330 HB2 :: 4.136 HB3 :: 3.923 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 :: 117.670 Ave N Shift Values>> N :: 116.28(3.52) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.811 CB :: 38.398 CG1 :: 31.307 CG2 :: 18.665 CD1 :: 12.176 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 :: 8.762 HA :: 3.910 HB :: 2.073 HG12 :: 2.380 HG13 :: 1.052 HG21 :: 1.097 HG22 :: 1.126 HG23 :: 1.115 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 127.447 Ave N Shift Values>> N :: 121.46(4.28) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 F 0.17 L 0.16 G 0.13 K 0.06 I 0.02 D 0.01 C Shift Assignments>> CA :: 59.148 CB :: 43.540 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 :: 8.677 HA :: 4.013 HB2 :: 2.832 HB3 :: 2.457 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 :: 121.636 Ave N Shift Values>> N :: 120.65(3.86) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.04 C Shift Assignments>> CA :: 55.321 CB :: 17.945 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.005 HA :: 4.044 HB1 :: 1.592 HB2 :: 1.592 HB3 :: 1.592 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.793 Ave N Shift Values>> N :: 123.23(3.54) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 F 0.3 E 0.01 C Shift Assignments>> CA :: 61.015 CB :: 38.837 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 :: 8.353 HA :: 4.038 HB2 :: 3.367 HB3 :: 3.087 HD1 :: 6.659 HD2 :: 6.659 HE1 :: 6.825 HE2 :: 6.825 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 :: 121.235 Ave N Shift Values>> N :: 120.45(4.18) 1.V78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.901 CB :: 31.247 CG1 :: 20.633 CG2 :: 23.818 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 :: 8.544 HA :: 2.943 HB :: 1.821 HG11 :: -0.417(S) HG12 :: -0.417(S) HG13 :: -0.417(S) HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 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 :: 120.866 Ave N Shift Values>> N :: 121.14(4.54) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.833 CB :: 31.930 CG1 :: 21.244 CG2 :: 23.439 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 :: 8.708 HA :: 3.495 HB :: 2.054 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 121.408 Ave N Shift Values>> N :: 121.14(4.54) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> CA :: 46.840 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.945 HA2 :: 3.818 HA3 :: 3.818 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.402 Ave N Shift Values>> N :: 109.67(3.87) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> CA :: 52.929 CB :: 19.261 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.639 HA :: 4.207 HB1 :: 0.965 HB2 :: 0.965 HB3 :: 0.965 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.146 Ave N Shift Values>> N :: 123.23(3.54) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.406 CB :: 70.767 CG2 :: 21.498 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 :: 7.449 HA :: 4.443 HB :: 4.410 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 107.668 Ave N Shift Values>> N :: 115.42(4.75) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> CA :: 60.412 CB :: 70.113 CG2 :: 21.007 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 :: 7.685 HA :: 4.665 HB :: 4.148 HG21 :: 1.269 HG22 :: 1.269 HG23 :: 1.269 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 :: 119.953 Ave N Shift Values>> N :: 115.42(4.75) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.688 CB :: 30.969 CG :: 27.503 CD :: 51.287 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 :: 4.689 HB2 :: 2.379 HB3 :: 1.898 HG2 :: 2.065 HG3 :: 2.015 HD2 :: 3.933 HD3 :: 3.718 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.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.931 CB :: 32.193 CG :: 27.423 CD :: 50.710 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 :: 4.481 HB2 :: 2.291 HB3 :: 1.925 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.829 HD3 :: 3.651 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.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> CA :: 62.339 CB :: 32.851 CG1 :: 20.955 CG2 :: 20.955 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 :: 8.257 HA :: 4.093 HB :: 2.076 HG11 :: 0.962 HG12 :: 0.962 HG13 :: 0.962 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 120.691 Ave N Shift Values>> N :: 121.14(4.54) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.17 E 0.16 W 0.16 Q 0.13 M 0.09 K 0.08 V 0.01 C Shift Assignments>> CA :: 56.754 CB :: 30.559 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 :: 8.202 HA :: 4.284 HB2 :: 2.075 HB3 :: 1.896 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 :: 127.655 Ave N Shift Values>> N :: 120.67(3.48) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> CA :: 52.148 CB :: 19.460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.323 HA :: 4.051 HB1 :: 1.493 HB2 :: 1.493 HB3 :: 1.493 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.437 Ave N Shift Values>> N :: 123.23(3.54) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.14 G 0.01 C Shift Assignments>> CA :: 56.297 CB :: 33.276 CG :: 24.719 CD :: 29.341 CE :: 42.116 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 :: 8.333 HA :: 4.347 HB2 :: 1.814 HB3 :: 1.774 HG2 :: 1.407 HG3 :: 1.407 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.991 HE3 :: 2.991 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 :: 121.796 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 A 0.23 G 0.06 C Shift Assignments>> CA :: 55.772 CB :: 42.472 CD1 :: 21.961 CD2 :: 21.961 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 :: 8.444 HA :: 3.907 HB2 :: 2.191 HB3 :: 2.191 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 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 :: 125.576 Ave N Shift Values>> N :: 121.86(3.9) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 W 0.15 K 0.14 H 0.14 E 0.13 M 0.13 Q 0.07 V 0.04 C Shift Assignments>> CA :: 57.898 CB :: 31.489 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 :: 7.892 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 :: 126.869 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 82 #Clerical: 1 #Suspicious: 4 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 90 #Suspicious: 1 C Shift Results: #Consistent: 272 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 599 #Duplicate: 0 #Unknown: 3 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 4 Error Summary: 1.E16 HB2 = 0.370(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.9299e-15 1.E16 HB3 = 0.370(S), Expected = 1.99, Std = 0.2300, ChiSquare = 1.8750e-12 1.E16 HG2 = 1.283(S), Expected = 2.27, Std = 0.2100, ChiSquare = 2.6016e-06 1.E16 HG3 = 0.937(S), Expected = 2.25, Std = 0.2200, ChiSquare = 2.3991e-09 1.I38 HG13 = -0.260(S), Expected = 1.19, Std = 0.4100, ChiSquare = 4.0534e-04 1.K45 HZ1 = 7.228(U) 1.K45 HZ2 = 7.228(U) 1.K45 HZ3 = 7.228(U) 1.R53 HB2 = 0.612(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.2831e-05 1.R53 HB3 = 0.221(S), Expected = 1.76, Std = 0.2800, ChiSquare = 3.8756e-08 1.R53 HG2 = 0.424(S), Expected = 1.57, Std = 0.2700, ChiSquare = 2.1914e-05 1.R53 HG3 = -0.258(S), Expected = 1.54, Std = 0.2900, ChiSquare = 5.6463e-10 1.R53 NE = 117.535(A), Expected = 84.63, Std = 1.6800, ChiSquare = 2.0234e-85 1.E62 Typing: Mistyped 1.E62 CD = 36.431(A), Expected = 182.40, Std = 1.7800, ChiSquare = 0.0000e+00 1.E62 SRO Rule Break>> CD > CA : 1 1.H67 HB3 = 1.727(S), Expected = 3.04, Std = 0.3800, ChiSquare = 5.4976e-04 1.R69 NE = 118.042(A), Expected = 84.63, Std = 1.6800, ChiSquare = 5.1598e-88 1.R69 NH2 = 118.258(A), Expected = 73.26, Std = 3.3200, ChiSquare = 7.5423e-42 1.R72 NE = 116.937(A), Expected = 84.63, Std = 1.6800, ChiSquare = 2.0620e-82 1.V78 HG11 = -0.417(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6174e-06 1.V78 HG12 = -0.417(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6174e-06 1.V78 HG13 = -0.417(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6174e-06