Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> C :: 176.4 CA :: 60.7 CB :: 39.7 CD1 :: 132.0 CD2 :: 132.0 CE1 :: 131.3 CE2 :: 131.3 CZ :: 129.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.40 HB2 :: 2.91 HB3 :: 3.20 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 7.06 HE2 :: 7.06 HZ :: 7.00 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.44 C Shift Assignments>> C :: 177.4 CA :: 61.4 CB :: 38.4 CD1 :: 133.2 CD2 :: 133.2 CE1 :: 131.3 CE2 :: 131.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.00 HA :: 4.00 HB2 :: 2.91 HB3 :: 2.98 HD1 :: 7.04 HD2 :: 7.04 HE1 :: 7.10 HE2 :: 7.10 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.69(4.18) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.28 E 0.01 C Shift Assignments>> C :: 177.3 CA :: 56.4 CB :: 38.0 CG :: 176.3 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.00 HA :: 4.25 HB2 :: 2.82 HB3 :: 2.82 HD21 :: 7.78 HD22 :: 7.11 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.3 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.31 K 0.1 M 0.03 Q 0.03 C Shift Assignments>> C :: 179.6 CA :: 59.2 CB :: 29.4 CG :: 36.5 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.08 HA :: 3.97 HB2 :: 1.95 HB3 :: 2.13 HG2 :: 2.18 HG3 :: 2.34 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.68(3.68) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.85 E 0.14 C Shift Assignments>> CA :: 58.6 CB :: 28.1 CG :: 33.7 CD :: 178.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.93 HA :: 3.56 HB2 :: 1.70 HB3 :: 2.05 HG2 :: 1.50 HG3 :: 1.87 HE21 :: 7.40 HE22 :: 7.40 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.9 NE2 :: 115.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.49 R 0.47 G 0.01 M 0.01 C Shift Assignments>> C :: 179.9 CA :: 60.6 CB :: 32.0 CG :: 26.5 CD :: 29.7 CE :: 41.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.12 HA :: 3.35 HB2 :: 1.25 HB3 :: 1.53 HG2 :: 1.03 HG3 :: -0.22(S) HD2 :: 1.17 HD3 :: 1.17 HE2 :: 2.28 HE3 :: 2.52 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.32 K 0.13 Q 0.06 M 0.02 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 179.0 CA :: 59.8 CB :: 29.1 CG :: 36.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.74 HA :: 4.04 HB2 :: 2.11 HB3 :: 2.14 HG2 :: 2.27 HG3 :: 2.40 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 120.68(3.68) 1.K9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.57 R 0.36 M 0.03 G 0.02 C Shift Assignments>> C :: 178.1 CA :: 60.5 CB :: 32.2 CG :: 25.4 CD :: 30.3 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.50 HA :: 3.95 HB2 :: 0.79(S) HB3 :: 1.66 HG2 :: 0.91 HG3 :: 1.61 HD2 :: 0.83 HD3 :: 1.24 HE2 :: 2.63 HE3 :: 2.67 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4 CA :: 66.6 CB :: 31.8 CG1 :: 22.6 CG2 :: 24.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.03 HA :: 3.41 HB :: 2.26 HG11 :: 1.00 HG12 :: 1.00 HG13 :: 1.00 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 121.02(4.96) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.7 CA :: 68.7 CB :: 68.5 CG2 :: 20.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.23 HA :: 3.58 HB :: 4.36 HG1 :: 5.18 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 115.7(5.05) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.12 G 0.03 HN Overlap>> 1.E8 1.E8 C Shift Assignments>> C :: 178.4 CA :: 58.5 CB :: 42.3 CG :: 27.0 CD1 :: 24.6 CD2 :: 25.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.78 HA :: 3.93 HB2 :: 1.84 HB3 :: 1.84 HG :: 1.65 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.79 HD22 :: 0.79 HD23 :: 0.79 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.98(4.07) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.4 CA :: 61.7 CB :: 39.4 CD1 :: 132.2 CD2 :: 132.2 CE1 :: 118.1 CE2 :: 118.1 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.97 HA :: 3.91 HB2 :: 2.88 HB3 :: 3.31 HD1 :: 6.54 HD2 :: 6.54 HE1 :: 6.74 HE2 :: 6.74 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.79(4.69) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.32 G 0.03 A 0.01 C Shift Assignments>> C :: 177.2 CA :: 57.6 CB :: 42.2 CG :: 26.0 CD1 :: 27.3 CD2 :: 22.7 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.23 HA :: 3.40 HB2 :: 0.70 HB3 :: 1.39 HG :: 1.83 HD11 :: 0.43 HD12 :: 0.43 HD13 :: 0.43 HD21 :: 0.54 HD22 :: 0.54 HD23 :: 0.54 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 121.98(4.07) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.28 M 0.04 G 0.01 C Shift Assignments>> C :: 178.8 CA :: 59.0 CB :: 32.6 CG :: 24.9 CD :: 29.7 CE :: 42.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.01 HA :: 3.23 HB2 :: 1.33 HB3 :: 1.43 HG2 :: 0.99 HG3 :: 1.09 HD2 :: 1.47 HD3 :: 1.52 HE2 :: 2.80 HE3 :: 2.89 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 175.9 CA :: 59.0 CB :: 30.9 CD2 :: 120.9 CE1 :: 138.1 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.89 HA :: 4.03 HB2 :: 2.81 HB3 :: 2.88 HD2 :: 6.76 HE1 :: 7.54 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.2 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.75 N 0.19 G 0.05 C Shift Assignments>> C :: 172.9 CA :: 54.1 CB :: 42.5 CG :: 177.3 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.95 HA :: 4.90 HB2 :: 2.19 HB3 :: 2.76 HD21 :: 8.06 HD22 :: 6.15 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.2 ND2 :: 118.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.94 A 0.05 C Shift Assignments>> CA :: 58.0 CB :: 38.0 CG1 :: 26.5 CG2 :: 16.9 CD1 :: 15.6 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.31 HA :: 4.56 HB :: 1.86 HG12 :: 0.62 HG13 :: -0.25(S) HG21 :: 0.57 HG22 :: 0.57 HG23 :: 0.57 HD11 :: 0.25 HD12 :: 0.25 HD13 :: 0.25 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.6(4.72) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.0 CA :: 65.7 CB :: 32.1 CG :: 27.2 CD :: 50.7 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.17 HB2 :: 1.87 HB3 :: 2.30 HG2 :: 1.87 HG3 :: 2.08 HD2 :: 3.70 HD3 :: 4.04 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.3 Y 0.11 F 0.1 L 0.09 K 0.01 C Shift Assignments>> C :: 175.6 CA :: 53.8 CB :: 39.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.47 HA :: 4.79 HB2 :: 2.33 HB3 :: 2.78 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.7 Ave N Shift Values>> N :: 120.73(4.2) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.2 CA :: 61.1 CB :: 39.9 CD1 :: 130.9 CD2 :: 130.9 CE1 :: 131.9 CE2 :: 131.9 CZ :: 128.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.89 HA :: 3.81 HB2 :: 3.05 HB3 :: 3.05 HD1 :: 6.86 HD2 :: 6.86 HE1 :: 7.08 HE2 :: 7.08 HZ :: 7.03 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 120.69(4.18) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.62 N 0.36 G 0.01 C Shift Assignments>> C :: 173.6 CA :: 54.6 CB :: 41.7 CG :: 176.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.38 HA :: 4.68 HB2 :: 2.47 HB3 :: 2.47 HD21 :: 7.49 HD22 :: 6.81 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.6 ND2 :: 113.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.1 CA :: 60.3 CB :: 71.1 CG2 :: 20.0 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.01 HA :: 4.28 HB :: 3.98 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.6 Ave N Shift Values>> N :: 115.7(5.05) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 I 0.13 A 0.03 C Shift Assignments>> C :: 171.4 CA :: 59.3 CB :: 35.5 CG1 :: 19.3 CG2 :: 22.1 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.29 HA :: 4.85 HB :: 2.09 HG11 :: 1.04 HG12 :: 1.04 HG13 :: 1.04 HG21 :: 0.35 HG22 :: 0.35 HG23 :: 0.35 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 121.02(4.96) 1.T25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.9 CA :: 61.1 CB :: 70.9 CG2 :: 21.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.20 HA :: 4.15 HB :: 2.27(S) HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.2 Ave N Shift Values>> N :: 115.7(5.05) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.9 CA :: 58.1 CB :: 39.9 CD1 :: 132.5 CD2 :: 132.5 CE1 :: 131.2 CE2 :: 131.2 CZ :: 128.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.90 HA :: 5.14 HB2 :: 2.89 HB3 :: 3.27 HD1 :: 7.39 HD2 :: 7.39 HE1 :: 7.28 HE2 :: 7.28 HZ :: 6.70 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.5 Ave N Shift Values>> N :: 120.69(4.18) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.8 CA :: 61.6 CB :: 69.4 CG2 :: 22.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.09 HA :: 4.43 HB :: 4.34 HG21 :: 1.18 HG22 :: 1.18 HG23 :: 1.18 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.0 Ave N Shift Values>> N :: 115.7(5.05) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.56 N 0.43 C Shift Assignments>> C :: 173.7 CA :: 54.1 CB :: 40.8 CG :: 176.8 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.88 HA :: 4.78 HB2 :: 2.75 HB3 :: 2.81 HD21 :: 7.64 HD22 :: 7.10 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.9 ND2 :: 114.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 M 0.23 Q 0.21 K 0.15 I 0.01 C Shift Assignments>> C :: 174.8 CA :: 55.6 CB :: 30.5 CG :: 35.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.15 HA :: 4.56 HB2 :: 1.33 HB3 :: 1.53 HG2 :: 1.80 HG3 :: 1.91 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 120.68(3.68) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 E 0.39 Q 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 175.1 CA :: 55.4 CB :: 32.2 CG :: 35.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.41 HA :: 4.41 HB2 :: 1.85 HB3 :: 1.97 HG2 :: 2.05 HG3 :: 2.05 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.68(3.68) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.8 CA :: 57.8 CB :: 40.2 CD1 :: 132.0 CD2 :: 132.0 CE1 :: 129.8 CE2 :: 129.8 CZ :: 131.4 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.57 HA :: 4.82 HB2 :: 2.93 HB3 :: 3.12 HD1 :: 7.25 HD2 :: 7.25 HE1 :: 7.03 HE2 :: 7.03 HZ :: 7.19 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 120.69(4.18) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 D 0.26 C Shift Assignments>> CA :: 51.6 CB :: 39.3 CG :: 176.5 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.35 HA :: 4.95 HB2 :: 2.83 HB3 :: 2.83 HD21 :: 7.65 HD22 :: 6.78 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.0 ND2 :: 113.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4 CA :: 65.3 CB :: 32.2 CG :: 27.8 CD :: 50.9 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.26 HB2 :: 1.84 HB3 :: 2.33 HG2 :: 1.94 HG3 :: 2.04 HD2 :: 3.69 HD3 :: 3.75 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.4 CA :: 61.0 CB :: 38.6 CG1 :: 27.3 CG2 :: 17.7 CD1 :: 13.1 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.84 HA :: 4.24 HB :: 1.95 HG12 :: 1.10 HG13 :: 1.35 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.7 Ave N Shift Values>> N :: 121.6(4.72) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 172.7 CA :: 45.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.86 HA2 :: 3.87 HA3 :: 4.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.9 Ave N Shift Values>> N :: 109.91(4.29) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.9 CA :: 60.5 CB :: 40.8 CG1 :: 26.9 CG2 :: 18.3 CD1 :: 14.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.18 HA :: 4.72 HB :: 1.91 HG12 :: 0.98 HG13 :: 1.37 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.3 Ave N Shift Values>> N :: 121.6(4.72) 1.S37 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>> C :: 172.9 CA :: 57.8 CB :: 65.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.43 HA :: 4.99 HB2 :: 3.55 HB3 :: 3.65 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 116.3(3.95) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.9 CA :: 60.6 CB :: 41.0 CG1 :: 27.8 CG2 :: 19.4 CD1 :: 14.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.15 HA :: 4.72 HB :: 1.87 HG12 :: 1.06 HG13 :: 1.54 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.67 HD12 :: 0.67 HD13 :: 0.67 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.3 Ave N Shift Values>> N :: 121.6(4.72) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 D 0.06 F 0.01 C Shift Assignments>> C :: 176.2 CA :: 52.3 CB :: 44.3 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.70 HA :: 5.54 HB2 :: 2.49 HB3 :: 2.62 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.6 Ave N Shift Values>> N :: 120.73(4.2) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 170.1 CA :: 47.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.10 HA2 :: 3.78 HA3 :: 4.07 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.4 Ave N Shift Values>> N :: 109.91(4.29) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.2 CA :: 56.0 CB :: 39.2 CD1 :: 134.3 CD2 :: 134.3 CE1 :: 117.1 CE2 :: 117.1 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.39 HA :: 5.53 HB2 :: 2.61 HB3 :: 3.01 HD1 :: 6.60 HD2 :: 6.60 HE1 :: 6.38 HE2 :: 6.38 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.9 Ave N Shift Values>> N :: 120.79(4.69) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 174.5 CA :: 59.3 CB :: 40.7 CG1 :: 27.3 CG2 :: 19.5 CD1 :: 15.7 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.42 HA :: 5.45 HB :: 2.40 HG12 :: 1.36 HG13 :: 1.48 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 HD11 :: 0.95 HD12 :: 0.95 HD13 :: 0.95 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.2 Ave N Shift Values>> N :: 121.6(4.72) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 Q 0.19 E 0.11 D 0.04 C Shift Assignments>> C :: 173.9 CA :: 53.3 CB :: 35.5 CG :: 178.0 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.76 HA :: 4.12 HB2 :: 2.74 HB3 :: 3.17 HD21 :: 7.90 HD22 :: 7.04 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.7 ND2 :: 108.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.49 N 0.42 E 0.08 C Shift Assignments>> C :: 173.6 CA :: 54.8 CB :: 38.1 CG :: 178.6 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.27 HA :: 4.26 HB2 :: 2.76 HB3 :: 3.08 HD21 :: 7.58 HD22 :: 6.84 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 110.3 ND2 :: 113.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 K 0.11 N 0.1 R 0.08 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.9 CA :: 52.6 CB :: 42.0 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.10 HA :: 4.76 HB2 :: 2.27 HB3 :: 3.08 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.73(4.2) 1.K46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.6 R 0.34 M 0.03 G 0.01 C Shift Assignments>> C :: 177.1 CA :: 58.4 CB :: 31.7 CG :: 25.1 CD :: 29.2 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.26 HA :: 2.76(S) HB2 :: 1.29 HB3 :: 1.29 HG2 :: 0.30(S) HG3 :: 0.83 HD2 :: 1.32 HD3 :: 1.32 HE2 :: 2.76 HE3 :: 2.76 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.35 C Shift Assignments>> C :: 177.0 CA :: 54.4 CB :: 38.5 CG :: 177.1 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.61 HA :: 4.62 HB2 :: 2.70 HB3 :: 2.83 HD21 :: 8.16 HD22 :: 6.90 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.8 ND2 :: 115.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.69 A 0.3 C Shift Assignments>> C :: 175.3 CA :: 52.8 CB :: 39.1 CG :: 26.3 CD1 :: 25.8 CD2 :: 22.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.47 HA :: 4.47 HB2 :: 1.41 HB3 :: 2.80(S) HG :: 1.52 HD11 :: 1.04 HD12 :: 1.04 HD13 :: 1.04 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.8 Ave N Shift Values>> N :: 121.98(4.07) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 173.2 CA :: 56.9 CB :: 66.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.27 HA :: 5.23 HB2 :: 3.84 HB3 :: 4.17 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.4 Ave N Shift Values>> N :: 116.3(3.95) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 F 0.27 C Shift Assignments>> C :: 174.5 CA :: 56.3 CB :: 44.6 CD1 :: 132.6 CD2 :: 132.6 CE1 :: 130.4 CE2 :: 130.4 CZ :: 130.7 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.26 HA :: 5.49 HB2 :: 2.67 HB3 :: 2.84 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 6.89 HE2 :: 6.89 HZ :: 7.08 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.2 Ave N Shift Values>> N :: 120.69(4.18) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.6 CA :: 62.0 CB :: 72.0 CG2 :: 21.2 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.52 HA :: 5.14 HB :: 3.63 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.0 Ave N Shift Values>> N :: 115.7(5.05) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 P 0.25 K 0.1 A 0.07 M 0.05 R 0.02 C Shift Assignments>> C :: 176.3 CA :: 50.3 CB :: 24.0 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.87 HA :: 5.18 HB1 :: 1.67 HB2 :: 1.67 HB3 :: 1.67 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.4 Ave N Shift Values>> N :: 123.23(3.7) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 K 0.06 D 0.06 G 0.06 F 0.05 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.2 CA :: 43.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.34 HA2 :: 3.63 HA3 :: 4.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.1 Ave N Shift Values>> N :: 109.91(4.29) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.35 M 0.03 G 0.01 C Shift Assignments>> CA :: 58.3 CB :: 32.6 CG :: 25.4 CD :: 29.6 CE :: 42.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.43 HA :: 3.75 HB2 :: 1.69 HB3 :: 1.80 HG2 :: 1.22 HG3 :: 1.30 HD2 :: 1.66 HD3 :: 1.75 HE2 :: 2.97 HE3 :: 2.97 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable C Shift Assignments>> C :: 172.9 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HB2 :: 3.08 HB3 :: 3.08 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 K 0.02 C Shift Assignments>> C :: 176.4 CA :: 62.8 CB :: 30.4 CG1 :: 25.8 CG2 :: 21.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.51 HA :: 3.10 HB :: 2.06 HG11 :: 0.35 HG12 :: 0.35 HG13 :: 0.35 HG21 :: 0.36 HG22 :: 0.36 HG23 :: 0.36 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 121.02(4.96) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.4 G 0.01 M 0.01 C Shift Assignments>> C :: 176.7 CA :: 58.4 CB :: 32.1 CG :: 25.8 CD :: 28.8 CE :: 42.3 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.58 HA :: 4.00 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.44 HG3 :: 1.54 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.04 HE3 :: 3.04 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.3 CA :: 59.9 CB :: 41.0 CG1 :: 27.3 CG2 :: 17.5 CD1 :: 13.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.16 HA :: 4.27 HB :: 1.57 HG12 :: 1.09 HG13 :: 1.44 HG21 :: 0.86 HG22 :: 0.86 HG23 :: 0.86 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 121.6(4.72) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.46 G 0.02 C Shift Assignments>> C :: 173.5 CA :: 58.7 CB :: 42.4 CD1 :: 132.1 CD2 :: 132.1 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.56 HA :: 4.89 HB2 :: 2.59 HB3 :: 2.86 HD1 :: 7.01 HD2 :: 7.01 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 127.5 Ave N Shift Values>> N :: 120.69(4.18) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.1 CA :: 56.9 CB :: 65.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.43 HA :: 4.85 HB2 :: 3.71 HB3 :: 3.74 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.2 Ave N Shift Values>> N :: 116.3(3.95) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 S 0.1 C Shift Assignments>> C :: 174.7 CA :: 57.4 CB :: 68.2 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.63 HA :: 5.38 HB2 :: 4.07 HB3 :: 4.39 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 116.3(3.95) 1.S62 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 :: 175.0 CA :: 57.6 CB :: 65.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.81 HA :: 4.57 HB2 :: 4.32 HB3 :: 4.68 HG :: 5.34 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 116.3(3.95) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.43 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.0 CA :: 60.1 CB :: 29.6 CG :: 36.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.24 HA :: 4.14 HB2 :: 2.05 HB3 :: 2.13 HG2 :: 2.32 HG3 :: 2.43 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 120.68(3.68) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.39 K 0.03 M 0.01 C Shift Assignments>> C :: 179.0 CA :: 60.1 CB :: 29.5 CG :: 37.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.97 HA :: 3.95 HB2 :: 1.85 HB3 :: 1.92 HG2 :: 2.30 HG3 :: 2.40 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 120.68(3.68) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 R 0.39 K 0.1 G 0.01 C Shift Assignments>> C :: 178.9 CA :: 57.5 CB :: 41.8 CG :: 27.6 CD1 :: 25.8 CD2 :: 27.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.74 HA :: 4.33 HB2 :: 1.28 HB3 :: 2.32 HG :: 1.98 HD11 :: 1.16 HD12 :: 1.16 HD13 :: 1.16 HD21 :: 1.28 HD22 :: 1.28 HD23 :: 1.28 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 121.98(4.07) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.18 R 0.18 L 0.15 Y 0.13 D 0.04 I 0.03 C Shift Assignments>> C :: 178.8 CA :: 58.3 CB :: 42.1 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.62 HA :: 4.58 HB2 :: 2.73 HB3 :: 2.89 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 120.73(4.2) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 M 0.03 G 0.01 C Shift Assignments>> C :: 177.4 CA :: 58.0 CB :: 33.0 CG :: 25.4 CD :: 29.4 CE :: 42.3 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.21 HA :: 4.24 HB2 :: 1.88 HB3 :: 2.02 HG2 :: 1.62 HG3 :: 1.72 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 2.98 HE3 :: 2.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.92 A 0.05 I 0.01 C Shift Assignments>> C :: 176.8 CA :: 56.8 CB :: 33.9 CG :: 32.0 CE :: 16.0 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.21 HA :: 4.27 HB2 :: 2.14 HB3 :: 2.44 HG2 :: 2.55 HG3 :: 2.86 HE1 :: 1.97 HE2 :: 1.97 HE3 :: 1.97 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.4 Ave N Shift Values>> N :: 120.1(3.88) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 176.9 CA :: 59.3 CB :: 40.6 CD1 :: 132.2 CD2 :: 132.2 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.33 HA :: 4.30 HB2 :: 2.72 HB3 :: 3.18 HD1 :: 7.28 HD2 :: 7.28 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 120.69(4.18) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.76 E 0.23 C Shift Assignments>> C :: 174.2 CA :: 55.0 CB :: 29.4 CG :: 33.5 CD :: 180.2 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.54 HA :: 4.45 HB2 :: 1.89 HB3 :: 1.96 HG2 :: 2.20 HG3 :: 2.32 HE21 :: 7.61 HE22 :: 6.71 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.6 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 Q 0.26 E 0.21 K 0.14 C Shift Assignments>> CA :: 53.1 CB :: 30.6 CG :: 34.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.34 HA :: 4.78 HB2 :: 1.71 HB3 :: 1.99 HG2 :: 2.24 HG3 :: 2.31 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 120.68(3.68) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.2 CA :: 62.1 CB :: 33.8 CG :: 25.2 CD :: 50.2 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.88 HB2 :: 2.07 HB3 :: 2.39 HG2 :: 1.96 HG3 :: 1.96 HD2 :: 3.50 HD3 :: 3.58 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R73 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 D 0.37 N 0.05 C Shift Assignments>> C :: 176.0 CA :: 56.0 CB :: 31.1 CG :: 25.9 CD :: 43.6 CZ :: 175.9(A) Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.58 HA :: 4.39 HB2 :: 1.65 HB3 :: 1.75 HG2 :: 1.66 HG3 :: 1.66 HD2 :: 2.54 HD3 :: 2.92 HE :: 7.22 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.4 NE :: 83.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.03 G 0.01 C Shift Assignments>> C :: 176.5 CA :: 55.0 CB :: 34.9 CG :: 24.8 CD :: 29.2 CE :: 42.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.08 HA :: 4.54 HB2 :: 1.53 HB3 :: 1.53 HG2 :: 1.36 HG3 :: 1.47 HD2 :: 1.45 HD3 :: 1.45 HE2 :: 2.86 HE3 :: 2.86 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.0 CA :: 44.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.87 HA2 :: 3.93 HA3 :: 4.35 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.7 Ave N Shift Values>> N :: 109.91(4.29) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.8 CA :: 62.9 CB :: 38.7 CD1 :: 133.0 CD2 :: 133.0 CE1 :: 118.1 CE2 :: 118.1 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.88 HA :: 3.93 HB2 :: 2.80 HB3 :: 2.88 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 6.74 HE2 :: 6.74 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.79(4.69) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 D 0.13 L 0.09 I 0.07 N 0.05 K 0.02 E 0.01 C Shift Assignments>> C :: 178.2 CA :: 57.0 CB :: 39.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.45 HA :: 4.00 HB2 :: 2.54 HB3 :: 2.58 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.8 Ave N Shift Values>> N :: 120.73(4.2) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.29 M 0.06 K 0.05 C Shift Assignments>> C :: 178.5 CA :: 58.5 CB :: 30.1 CG :: 37.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.52 HA :: 4.02 HB2 :: 1.96 HB3 :: 2.13 HG2 :: 2.19 HG3 :: 2.25 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 120.68(3.68) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.7 CA :: 64.6 CB :: 37.7 CG1 :: 28.6 CG2 :: 15.1 CD1 :: 17.0 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.85 HA :: 3.30 HB :: 1.58 HG12 :: 1.47 HG13 :: 0.16 HG21 :: 0.63 HG22 :: 0.63 HG23 :: 0.63 HD11 :: 0.33 HD12 :: 0.33 HD13 :: 0.33 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 121.6(4.72) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 C Shift Assignments>> C :: 178.6 CA :: 56.9 CB :: 41.6 CG :: 26.8 CD1 :: 24.3 CD2 :: 23.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.71 HA :: 3.78 HB2 :: 1.27 HB3 :: 1.36 HG :: 1.27 HD11 :: 0.66 HD12 :: 0.66 HD13 :: 0.66 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 121.98(4.07) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.16 I 0.14 Q 0.1 M 0.07 C Shift Assignments>> C :: 177.4 CA :: 58.3 CB :: 29.7 CG :: 35.9 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.62 HA :: 3.96 HB2 :: 1.84 HB3 :: 1.91 HG2 :: 2.06 HG3 :: 2.18 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 120.68(3.68) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.18 H 0.18 Q 0.17 R 0.17 K 0.14 M 0.06 I 0.03 V 0.01 C Shift Assignments>> C :: 175.6 CA :: 57.0 CB :: 29.8 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.84 HA :: 4.44 HB2 :: 2.97 HB3 :: 3.05 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 E 0.18 Q 0.18 R 0.17 K 0.14 M 0.07 I 0.02 V 0.01 C Shift Assignments>> CA :: 56.7 CB :: 29.9 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.08 HA :: 4.48 HB2 :: 2.92 HB3 :: 2.92 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 80 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 0 C Shift Results: #Consistent: 383 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 582 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K7 HG3 = -0.22(S), Expected = 1.37, Std = 0.2900, ChiSquare = 4.1874e-08 1.K9 HB2 = 0.79(S), Expected = 1.79, Std = 0.2500, ChiSquare = 6.3342e-05 1.I18 HG13 = -0.25(S), Expected = 1.24, Std = 0.4000, ChiSquare = 1.9532e-04 1.T25 HB = 2.27(S), Expected = 4.17, Std = 0.3700, ChiSquare = 2.8194e-07 1.K46 HA = 2.76(S), Expected = 4.28, Std = 0.4500, ChiSquare = 7.3074e-04 1.K46 HG2 = 0.30(S), Expected = 1.38, Std = 0.2700, ChiSquare = 6.3342e-05 1.L48 HB3 = 2.80(S), Expected = 1.57, Std = 0.3600, ChiSquare = 6.3393e-04 1.R73 Typing: Suspicious 1.R73 CZ = 175.9(A), Expected = 159.01, Std = 0.8700, ChiSquare = 5.9006e-84