V1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> L17 C Shift Assignments>> C :: 175.2 CA :: 61.4(D) CB :: 32.9(D) CG1 :: 20.5(D) CG2 :: 19.7(D) 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 :: 7.83 HA :: 3.8(D) HB :: 2.22(D) HG1 :: 1.04(D) HG2 :: 1.04(D) 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 :: 118.9 Ave N Shift Values>> N :: 121.02(4.96) D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.24 K 0.16 F 0.08 N 0.07 R 0.07 Y 0.06 C Shift Assignments>> C :: 175.7(D) CA :: 54.3(D) CB :: 41.6(D) 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 :: 8.76(D) HA :: 4.71(D) HB2 :: 2.65(D) HB3 :: 2.78(D) 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 :: 126.2(D) Ave N Shift Values>> N :: 120.73(4.2) N3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.25 Y 0.1 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 176(D) CA :: 53.4(D) CB :: 39(D) 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 :: 8.54(D) HA :: 4.74(D) HB2 :: 2.85(D) HB3 :: 2.85(D) HD21 :: 6.98(D) HD22 :: 7.63(D) 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 :: 121.6(D) ND2 :: 113.2(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.65 R 0.33 G 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 57.9(D) CB :: 32.4(D) CG :: 24.4(D) CD :: 29(D) CE :: 41.9(D) 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 :: 8.42(D) HA :: 4.12(D) HB2 :: 1.6(D) HB3 :: 1.65(D) HG2 :: 1.12(D) HG3 :: 1.12(D) HD2 :: 1.56(D) HD3 :: 1.56(D) HE2 :: 2.89(D) HE3 :: 2.89(D) 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 :: 122.6(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.61 Y 0.38 C Shift Assignments>> C :: 176.3(D) CA :: 58.2(D) CB :: 39.2(D) CD1 :: 131.6 CD2 :: 131.6 CE1 :: 132(D) CE2 :: 132(D) 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 :: 8.22(D) HA :: 4.76(D) HB2 :: 2.97(D) HB3 :: 3.36(D) HD1 :: 7.3(D) HD2 :: 7.3(D) HE1 :: 7.41(D) HE2 :: 7.41(D) HZ :: 7.35(D) 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 :: 118.9(D) Ave N Shift Values>> N :: 120.69(4.18) N6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 D 0.15 N 0.13 L 0.06 I 0.05 E 0.05 C Shift Assignments>> C :: 176.5(D) CA :: 56.2(D) CB :: 38.9(D) 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 :: 8.01(D) HA :: 4.75(D) HB2 :: 2.87(D) HB3 :: 2.87(D) HD21 :: 7.41(D) HD22 :: 7.61(D) 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 :: 120.2(D) ND2 :: 114.6(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.6 R 0.38 C Shift Assignments>> C :: 178.9(D) CA :: 58.1(D) CB :: 31.6(D) CG :: 24.8(D) CD :: 28.9 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 :: 8.26(D) HA :: 4.25(D) HB2 :: 1.79(D) HB3 :: 1.79(D) HG2 :: 1.4(D) HG3 :: 1.51(D) HD2 :: 1.65 HD3 :: 1.69 HE2 :: 3.01(D) HE3 :: 3.01(D) 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 :: 119.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.42 K 0.08 Q 0.01 C Shift Assignments>> C :: 180(D) CA :: 59.6(D) CB :: 29.2(D) CG :: 36.7(D) 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 :: 8.28(D) HA :: 4.06(D) HB2 :: 2.24(D) HB3 :: 2.08(D) HG2 :: 2.4(D) HG3 :: 2.4(D) 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(D) Ave N Shift Values>> N :: 120.68(3.68) Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 K 0.23 Q 0.21 I 0.14 R 0.01 C Shift Assignments>> C :: 177 CA :: 59.5 CB :: 29.3 CG :: 35 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 :: 8.42 HA :: 3.81 HB2 :: 2.16 HB3 :: 1.72 HG2 :: 2.23 HG3 :: 2.49 HE21 :: 7.52 HE22 :: 7.58 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 :: 120.7 NE2 :: 115.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.25 K 0.22 I 0.2 E 0.19 R 0.07 P 0.02 C Shift Assignments>> C :: 177.7 CA :: 59.5 CB :: 27.1 CG :: 34.7 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 :: 8.07 HA :: 2.93 HB2 :: 0.69(S) HB3 :: 1.5 HG2 :: 1.86 HG3 :: 2.11 HE21 :: 7.32 HE22 :: 6.55 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 :: 118.9 NE2 :: 113.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.3 D 0.11 I 0.08 L 0.07 N 0.05 E 0.03 K 0.01 C Shift Assignments>> C :: 177.1 CA :: 57.1 CB :: 39.3 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 :: 7.77 HA :: 4.47 HB2 :: 2.76 HB3 :: 2.76 HD21 :: 7.1 HD22 :: 7.67 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 :: 116.5 ND2 :: 114.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 I 0.13 V 0.02 C Shift Assignments>> C :: 178.4(D) CA :: 55.5(D) CB :: 18.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.97(D) HA :: 4.05(D) HB :: 1.42(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 123.23(3.7) F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 I 0.28 E 0.03 L 0.01 D 0.01 C Shift Assignments>> C :: 175.9 CA :: 59.5 CB :: 39 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 :: 8.22 HA :: 4.02 HB2 :: 2.47 HB3 :: 2.9 HD1 :: 7.21 HD2 :: 7.21 HE1 :: 7.57 HE2 :: 7.57 HZ :: 7.54 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 :: 119.1 Ave N Shift Values>> N :: 120.69(4.18) Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.2 CA :: 62.8 CB :: 38.9 CE1 :: 118.5 CE2 :: 118.5 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 :: 8.01 HA :: 3.69 HB2 :: 3.18 HB3 :: 3.46 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.52 HE2 :: 6.52 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 :: 117.5 Ave N Shift Values>> N :: 120.79(4.69) E15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.53 I 0.28 K 0.11 Q 0.06 C Shift Assignments>> C :: 180.4(D) CA :: 59.9(D) CB :: 30(D) CG :: 35.9(D) 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(D) HA :: 3.87(D) HB2 :: 2.02(D) HB3 :: 2.08(D) HG2 :: 2.32(D) HG3 :: 2.41(D) 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 :: 118.6(D) Ave N Shift Values>> N :: 120.68(3.68) I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 178.4(D) CA :: 65.6(D) CB :: 37.6(D) CG1 :: 30.8(D) CG2 :: 17.2(D) CD1 :: 13.2(D) 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 :: 8.75(D) HA :: 3.49(D) HB :: 1.91(D) HG2 :: 0.85(D) HG12 :: 0.61(D) HG13 :: 1.88(D) HD1 :: 0.62(D) 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 :: 121.4(D) Ave N Shift Values>> N :: 121.6(4.72) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.08 G 0.06 A 0.01 HN Overlap>> V1 C Shift Assignments>> C :: 176.1 CA :: 57.4 CB :: 42.6 CG :: 25.5 CD1 :: 25.9 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 :: 7.8 HA :: 3.68 HB2 :: 0.82 HB3 :: 1.68 HG :: 1.44 HD1 :: 0.03 HD2 :: 0.68 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 :: 118.9 Ave N Shift Values>> N :: 121.98(4.07) H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 H 0.47 C Shift Assignments>> C :: 175.1 CA :: 56.8 CB :: 30.2 CD2 :: 122.9 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 :: 7.52 HA :: 4 HB2 :: 2.74 HB3 :: 3.18 HD2 :: 6.75 HE1 :: 7.17 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 :: 113.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.78 A 0.19 R 0.01 C Shift Assignments>> C :: 177(D) CA :: 53.1(D) CB :: 40.2(D) CG :: 25.4(D) CD1 :: 27.3(D) CD2 :: 23.2(D) 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 :: 7.17(D) HA :: 4.45(D) HB2 :: 1.8(D) HB3 :: 1.3(D) HG :: 2.1(D) HD1 :: 0.7(D) HD2 :: 0.83(D) 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 :: 122.7(D) Ave N Shift Values>> N :: 121.98(4.07) P20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.2(D) CA :: 65.2(D) CB :: 32.4(D) CG :: 27(D) CD :: 51.7(D) 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 :: 4.34(D) HB2 :: 1.96(D) HB3 :: 2.27(D) HG2 :: 2.02(D) HG3 :: 2.13(D) HD2 :: 3.83(D) HD3 :: 4.09(D) 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) N21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 D 0.22 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 176.2(D) CA :: 52.9(D) CB :: 38.8(D) 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 :: 8.84(D) HA :: 4.97(D) HB2 :: 2.85(D) HB3 :: 2.9(D) HD21 :: 6.98(D) HD22 :: 7.39(D) 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 :: 114.7(D) ND2 :: 115.3(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 R 0.24 G 0.1 A 0.09 C Shift Assignments>> C :: 176.5(D) CA :: 54.4(D) CB :: 43.2(D) CG :: 27.4(D) CD1 :: 26.7(D) CD2 :: 22.5(D) 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 :: 6.46(D) HA :: 4.45(D) HB2 :: 1.61(D) HB3 :: 1.68(D) HG :: 1.68(D) HD1 :: 0.97(D) HD2 :: 0.89(D) 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 :: 118(D) Ave N Shift Values>> N :: 121.98(4.07) N23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.67 D 0.2 Y 0.04 F 0.04 L 0.02 C Shift Assignments>> C :: 175.9(D) CA :: 51.3(D) CB :: 38.8(D) 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 :: 8.55(D) HA :: 4.94(D) HB2 :: 3.29(D) HB3 :: 2.84(D) HD21 :: 7.03(D) HD22 :: 7.49(D) 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 :: 120.2(D) ND2 :: 112.5(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.32 K 0.1 Q 0.05 HN Overlap>> R27 C Shift Assignments>> C :: 178.4 CA :: 59.9 CB :: 29.8 CG :: 36.1 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 :: 8.58 HA :: 3.96 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.3 HG3 :: 2.36 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 :: 119.3 Ave N Shift Values>> N :: 120.68(3.68) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 I 0.42 K 0.09 Q 0.02 C Shift Assignments>> C :: 180.2 CA :: 59.9 CB :: 29 CG :: 36.4 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 :: 8.29 HA :: 4.08 HB2 :: 2.07 HB3 :: 2.11 HG2 :: 2.32 HG3 :: 2.32 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 :: 120.9 Ave N Shift Values>> N :: 120.68(3.68) Q26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.35 K 0.33 E 0.19 R 0.07 I 0.03 C Shift Assignments>> C :: 178.7(D) CA :: 58.2(D) CB :: 28.8(D) CG :: 34(D) 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 :: 8.53(D) HA :: 4.02(D) HB2 :: 2.49(D) HB3 :: 1.7(D) HG2 :: 2.4(D) HG3 :: 2.79(D) HE21 :: 7.6(D) HE22 :: 8.25(D) 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 :: 120.8(D) NE2 :: 113.3(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.19 G 0.12 HN Overlap>> E24 C Shift Assignments>> C :: 178.1 CA :: 61.2 CB :: 30.4 CG :: 28.2 CD :: 42.9 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 :: 8.55 HA :: 3.86 HB2 :: 1.79 HB3 :: 1.95 HG2 :: 1.56 HG3 :: 1.77 HD2 :: 3.25 HD3 :: 3.3 HE :: 8.03 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 :: 119.3 NE :: 81.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.26 E 0.09 D 0.09 I 0.08 N 0.08 L 0.03 C Shift Assignments>> C :: 177.3 CA :: 56.8 CB :: 38.5 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 :: 8.44 HA :: 4.42 HB2 :: 2.83 HB3 :: 2.97 HD21 :: 7.03 HD22 :: 7.67 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 :: 116.4 ND2 :: 112.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 I 0.14 V 0.01 C Shift Assignments>> C :: 181.1(D) CA :: 55.4(D) CB :: 17.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.95(D) HA :: 4.14(D) HB :: 1.37(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5(D) Ave N Shift Values>> N :: 123.23(3.7) F30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 178(D) CA :: 62.7(D) CB :: 39.5(D) CE1 :: 129.7 CE2 :: 129.7 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 :: 8.15(D) HA :: 4.38(D) HB2 :: 3.06(D) HB3 :: 3.13(D) HD1 :: 7.32(D) HD2 :: 7.32(D) HE1 :: 7.35(D) HE2 :: 7.35(D) HZ :: 7.18(D) 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 :: 117.3(D) Ave N Shift Values>> N :: 120.69(4.18) I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 HN Overlap>> Q32 C Shift Assignments>> C :: 177.1(D) CA :: 66.2(D) CB :: 37.8(D) CG1 :: 31.5(D) CG2 :: 18.5(D) CD1 :: 14.9(D) 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 :: 8.34(D) HA :: 3.78(D) HB :: 2.17(D) HG2 :: 1.15(D) HG12 :: 1.34(D) HG13 :: 2.19(D) HD1 :: 1.11(D) 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 :: 120.1(D) Ave N Shift Values>> N :: 121.6(4.72) Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.32 R 0.17 E 0.09 I 0.03 P 0.01 HN Overlap>> I31 C Shift Assignments>> C :: 178.6 CA :: 58.9 CB :: 28 CG :: 33.4 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 :: 8.39 HA :: 3.89 HB2 :: 2.12 HB3 :: 2.16 HG2 :: 2.37 HG3 :: 2.37 HE21 :: 6.72 HE22 :: 7.78 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 :: 120 NE2 :: 115.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.8(D) CA :: 62.7(D) CB :: 63.5(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1(D) HA :: 4.29(D) HB2 :: 4.11(D) HB3 :: 4.04(D) 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 :: 116.1(D) Ave N Shift Values>> N :: 116.3(3.95) L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.71 R 0.18 G 0.09 C Shift Assignments>> C :: 178.2(D) CA :: 57.4(D) CB :: 43.1(D) CG :: 26.8(D) CD1 :: 25(D) CD2 :: 25.8(D) 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 :: 8.26(D) HA :: 3.91(D) HB2 :: 1.96(D) HB3 :: 1.96(D) HG :: 1.88(D) HD1 :: 0.87(D) HD2 :: 0.79(D) 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 :: 124(D) Ave N Shift Values>> N :: 121.98(4.07) K35 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.77 R 0.22 C Shift Assignments>> C :: 178.8 CA :: 57.7 CB :: 32.5 CG :: 24.7 CD :: 29.1 CE :: 41.3 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 :: 7.85 HA :: 4.07 HB2 :: 1.96 HB3 :: 1.87 HG2 :: 1.32 HG3 :: 1.37 HD2 :: 1.23 HD3 :: 1.34 HE2 :: 1.81(S) HE3 :: 2.42 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 :: 117.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.19 F 0.17 Y 0.13 D 0.13 R 0.07 I 0.02 N 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 56.8(D) CB :: 41.4(D) 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 :: 8.12(D) HA :: 4.47(D) HB2 :: 2.71(D) HB3 :: 2.75(D) 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 :: 119.3(D) Ave N Shift Values>> N :: 120.73(4.2) D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 N 0.34 L 0.12 F 0.04 Y 0.04 K 0.03 C Shift Assignments>> C :: 173.2 CA :: 51.5(D) CB :: 40.7(D) 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 :: 7.77(D) HA :: 5.04(D) HB2 :: 2.48(D) HB3 :: 3.01(D) 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 :: 115.9(D) Ave N Shift Values>> N :: 120.73(4.2) P38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.5(D) CA :: 64.6(D) CB :: 32.5(D) CG :: 27.1(D) CD :: 50.5(D) 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 :: 4.45(D) HB2 :: 1.97(D) HB3 :: 2.43(D) HG2 :: 2.11(D) HG3 :: 2.22(D) HD2 :: 3.61(D) HD3 :: 3.88(D) 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) S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.1(D) CA :: 60.7(D) CB :: 63.1(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14(D) HA :: 3.68(D) HB2 :: 3.89(D) HB3 :: 3.89(D) 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 :: 114.1(D) Ave N Shift Values>> N :: 116.3(3.95) Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 K 0.37 R 0.14 E 0.08 HN Overlap>> A46 K50 C Shift Assignments>> C :: 176.1(D) CA :: 55(D) CB :: 28.3(D) CG :: 33.5(D) 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 :: 7.71(D) HA :: 4.64(D) HB2 :: 1.96(D) HB3 :: 2.65(D) HG2 :: 2.24(D) HG3 :: 2.44(D) HE21 :: 6.82(D) HE22 :: 7.49(D) 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 :: 120.9(D) NE2 :: 114.8(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 174.4(D) CA :: 64.1(D) CB :: 63.2(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.52(D) HA :: 3.8(D) HB2 :: 3.68(D) HB3 :: 3.68(D) 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 :: 116.5(D) Ave N Shift Values>> N :: 116.3(3.95) A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 I 0.15 V 0.01 C Shift Assignments>> C :: 181(D) CA :: 55.5(D) CB :: 17.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.51(D) HA :: 4.11(D) HB :: 1.42(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.2(D) Ave N Shift Values>> N :: 123.23(3.7) N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.19 N 0.18 E 0.14 D 0.09 I 0.05 L 0.02 C Shift Assignments>> C :: 178(D) CA :: 55.9(D) CB :: 38(D) 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 :: 7.94(D) HA :: 4.52(D) HB2 :: 2.89(D) HB3 :: 2.89(D) HD21 :: 6.96(D) HD22 :: 7.76(D) 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 :: 119.7(D) ND2 :: 113.5(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 R 0.27 G 0.03 K 0.01 C Shift Assignments>> C :: 178.7(D) CA :: 58(D) CB :: 42.4(D) CG :: 27.4(D) CD1 :: 26.1(D) CD2 :: 23.6(D) 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 :: 8.66(D) HA :: 4.2(D) HB2 :: 1.91(D) HB3 :: 1.34(D) HG :: 1.88(D) HD1 :: 0.84(D) HD2 :: 1.12(D) 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 :: 122.8(D) Ave N Shift Values>> N :: 121.98(4.07) L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 R 0.11 G 0.01 HN Overlap>> D53 C Shift Assignments>> C :: 178.1(D) CA :: 58(D) CB :: 41.8(D) CG :: 27(D) CD1 :: 24(D) CD2 :: 25.2(D) 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 :: 8.22(D) HA :: 3.85(D) HB2 :: 1.49(D) HB3 :: 1.89(D) HG :: 1.58(D) HD1 :: 0.91(D) HD2 :: 0.89(D) 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(D) Ave N Shift Values>> N :: 121.98(4.07) A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 I 0.14 V 0.01 HN Overlap>> Q40 K50 C Shift Assignments>> C :: 181.3(D) CA :: 55.4(D) CB :: 17.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.68(D) HA :: 4.04(D) HB :: 1.55(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.9(D) Ave N Shift Values>> N :: 123.23(3.7) E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.52 I 0.24 K 0.14 Q 0.07 C Shift Assignments>> C :: 179(D) CA :: 59.2(D) CB :: 29.5(D) CG :: 36(D) 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 :: 8.13(D) HA :: 4.05(D) HB2 :: 2.3(D) HB3 :: 2.3(D) HG2 :: 2.5(D) HG3 :: 2.5(D) 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(D) Ave N Shift Values>> N :: 120.68(3.68) A48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.76 I 0.21 C Shift Assignments>> C :: 179.6(D) CA :: 55.5(D) CB :: 17(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.43(D) HA :: 3.52(D) HB :: 0.52(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.8(D) Ave N Shift Values>> N :: 123.23(3.7) K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.57 R 0.41 G 0.01 C Shift Assignments>> C :: 178.7(D) CA :: 60.4(D) CB :: 32.2(D) CG :: 26.6(D) CD :: 29.3(D) CE :: 41.7(D) 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 :: 8.41(D) HA :: 3.77(D) HB2 :: 1.81(D) HB3 :: 1.95(D) HG2 :: 1.35(D) HG3 :: 1.61(D) HD2 :: 1.61(D) HD3 :: 1.68(D) HE2 :: 2.83(D) HE3 :: 2.93(D) 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 :: 119.1(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.72 R 0.26 G 0.01 HN Overlap>> Q40 A46 C Shift Assignments>> C :: 179.9(D) CA :: 59.9(D) CB :: 32.5(D) CG :: 25.1(D) CD :: 29.5(D) CE :: 41.9(D) 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 :: 7.71(D) HA :: 4.1(D) HB2 :: 1.96(D) HB3 :: 1.96(D) HG2 :: 1.43(D) HG3 :: 1.63(D) HD2 :: 1.73(D) HD3 :: 1.73(D) HE2 :: 2.97(D) HE3 :: 2.97(D) 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 :: 120.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 R 0.1 G 0.02 C Shift Assignments>> C :: 178.2(D) CA :: 57.5(D) CB :: 42.1(D) CG :: 26.9(D) CD1 :: 23.7(D) CD2 :: 25(D) 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(D) HA :: 4.2(D) HB2 :: 1.74(D) HB3 :: 1.78(D) HG :: 1.59(D) HD1 :: 1(D) HD2 :: 1.02(D) 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 :: 122.9(D) Ave N Shift Values>> N :: 121.98(4.07) N52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.18 L 0.16 R 0.14 Y 0.13 D 0.05 I 0.03 C Shift Assignments>> C :: 177.7(D) CA :: 58(D) CB :: 41.9(D) 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 :: 8.51(D) HA :: 3.96(D) HB2 :: 2.38(D) HB3 :: 3.13(D) HD21 :: 6.84(D) HD22 :: 7.89(D) 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 :: 117.6(D) ND2 :: 116.8(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.26 D 0.14 L 0.12 K 0.07 I 0.06 N 0.04 HN Overlap>> L45 C Shift Assignments>> C :: 178.9(D) CA :: 57(D) CB :: 40.1(D) 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 :: 8.23(D) HA :: 4.46(D) HB2 :: 2.72(D) HB3 :: 2.77(D) 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 :: 119.7(D) Ave N Shift Values>> N :: 120.73(4.2) A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 I 0.02 C Shift Assignments>> C :: 179.3(D) CA :: 54.3(D) CB :: 18.5(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.01(D) HA :: 4.26(D) HB :: 1.61(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.7(D) Ave N Shift Values>> N :: 123.23(3.7) Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 K 0.28 Q 0.17 I 0.05 R 0.01 C Shift Assignments>> C :: 174.2(D) CA :: 55.1(D) CB :: 28.3(D) CG :: 35.9(D) 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 :: 7.51(D) HA :: 4.4(D) HB2 :: 1.8(D) HB3 :: 2.48(D) HG2 :: 2.31(D) HG3 :: 2.65(D) HE21 :: 7.2(D) HE22 :: 8.65(D) 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 :: 116(D) NE2 :: 111.6(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.99 C Shift Assignments>> C :: 175.6(D) CA :: 51(D) CB :: 17.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.12(D) HA :: 4.37(D) HB :: 1.45(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.2(D) Ave N Shift Values>> N :: 123.23(3.7) P57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.2(D) CA :: 63.5(D) CB :: 31.9(D) CG :: 27.5(D) CD :: 50.6(D) 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 :: 4.43(D) HB2 :: 1.98(D) HB3 :: 2.32(D) HG2 :: 2.07(D) HG3 :: 2.1(D) HD2 :: 3.63(D) HD3 :: 3.8(D) 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) K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.68 R 0.29 G 0.02 C Shift Assignments>> C :: 181.5(D) CA :: 57.5(D) CB :: 33.9(D) CG :: 24.7(D) CD :: 29.1(D) CE :: 42.3(D) 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(D) HA :: 4.2(D) HB2 :: 1.71(D) HB3 :: 1.87(D) HG2 :: 1.45(D) HG3 :: 1.45(D) HD2 :: 1.69(D) HD3 :: 1.69(D) HE2 :: 3.04(D) HE3 :: 3.04(D) 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 :: 128.1(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.23 G 0.08 C Shift Assignments>> C :: 178.6 CA :: 58.6 CB :: 43.0 CG :: 27.4 CD1 :: 25.4 CD2 :: 24.8 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 :: 7.94 HA :: 4.23 HB2 :: 1.82 HB3 :: 2.03 HG :: 1.80 HD1 :: 0.76 HD2 :: 0.76 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 :: 119.5 Ave N Shift Values>> N :: 121.98(4.07) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.7 CA :: 61.1 CB :: 63.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.94 HA :: 4.17 HB2 :: 3.99 HB3 :: 4.13 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 :: 112.0 Ave N Shift Values>> N :: 116.3(3.95) V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> R14 C Shift Assignments>> C :: 178.9 CA :: 66.4 CB :: 32.3 CG1 :: 21.1 CG2 :: 22.5 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 :: 8.00 HA :: 3.76 HB :: 2.10 HG1 :: 1.00 HG2 :: 1.09 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 :: 121.9 Ave N Shift Values>> N :: 121.02(4.96) G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 P 0.19 A 0.09 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.1 CA :: 47.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.98 HA2 :: 3.50 HA3 :: 3.74 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.9 Ave N Shift Values>> N :: 109.91(4.29) R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.32 L 0.12 G 0.05 HN Overlap>> V11 C Shift Assignments>> C :: 178.0 CA :: 57.4 CB :: 29.3 CG :: 26.2 CD :: 43.0 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 :: 8.06 HA :: 3.95 HB2 :: 1.86 HB3 :: 2.10 HG2 :: 1.69 HG3 :: 1.78 HD2 :: 2.93 HD3 :: 3.22 HE :: 7.29 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 :: 121.9 NE :: 85.5 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.7 CA :: 65.0 CB :: 31.1 CG1 :: 22.3 CG2 :: 21.7 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 :: 7.85 HA :: 3.81 HB :: 2.05 HG1 :: 0.70 HG2 :: 0.77 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 :: 112.9 Ave N Shift Values>> N :: 121.02(4.96) T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.2 CA :: 61.3 CB :: 69.6 CG2 :: 21.3 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 :: 7.39 HA :: 4.39 HB :: 4.48 HG2 :: 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 :: 109.5 Ave N Shift Values>> N :: 115.7(5.05) D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 I 0.31 F 0.25 E 0.08 C Shift Assignments>> C :: 175.4 CA :: 59.6 CB :: 38.2 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 :: 8.87 HA :: 4.69 HB2 :: 2.60 HB3 :: 2.86 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 :: 119.8 Ave N Shift Values>> N :: 120.73(4.2) P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 180.2 CA :: 66.5 CB :: 30.9 CG :: 28.1 CD :: 49.8 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 :: 4.03 HB2 :: 1.79 HB3 :: 2.23 HG2 :: 1.89 HG3 :: 2.09 HD2 :: 3.64 HD3 :: 3.77 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) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.23 K 0.03 C Shift Assignments>> C :: 178.4 CA :: 61.4 CB :: 34.0 CG :: 27.7 CD :: 30.6 CE :: 43.3 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 :: 8.31 HA :: 3.87 HB2 :: 2.40 HB3 :: 1.81 HG2 :: 1.38 HG3 :: 1.79 HD2 :: 1.86 HD3 :: 1.86 HE2 :: 3.13 HE3 :: 3.13 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 :: 119.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.71 R 0.26 G 0.01 C Shift Assignments>> C :: 176.8 CA :: 60.5 CB :: 32.1 CG :: 25.4 CD :: 29.2 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 :: 8.65 HA :: 3.22 HB2 :: 1.25 HB3 :: 0.98 HG2 :: -0.06(S) HG3 :: 0.42 HD2 :: 1.09 HD3 :: 1.09 HE2 :: 2.27(S) HE3 :: 2.27(S) 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 :: 118.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.46 C Shift Assignments>> C :: 178.6 CA :: 59.7 CB :: 36.2 CD1 :: 130.4 CD2 :: 130.4 CE1 :: 128.9 CE2 :: 128.9 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 :: 9.45 HA :: 4.55 HB2 :: 3.34 HB3 :: 3.41 HD1 :: 7.11 HD2 :: 7.11 HE1 :: 7.07 HE2 :: 7.07 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 :: 123.5 Ave N Shift Values>> N :: 120.69(4.18) W35 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.8 H 0.19 C Shift Assignments>> C :: 177.9 CA :: 59.7 CB :: 29.5 CD1 :: 129.9(M) CE3 :: 120.8 CZ2 :: 113.6 CZ3 :: 120.2 CH2 :: 123.5 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.18 HA :: 3.72 HB2 :: 3.41 HB3 :: 3.47 HD1 :: 7.31 HE1 :: 9.80 HE3 :: 5.74 HZ2 :: 7.24 HZ3 :: 6.39 HH2 :: 6.85 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 115.6 NE1 :: 129.7 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) ########################################################################### Overall Results: #Consistent: 22 #Clerical: 44 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 1 C Shift Results: #Consistent: 127 #Duplicate: 186 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 181 #Duplicate: 273 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 34 #Duplicate: 50 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: V1 CA = 61.4(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.2239e-01 V1 CB = 32.9(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.0001e-01 V1 CG1 = 20.5(D), Expected = 21.38, Std = 1.5300, ChiSquare = 5.6518e-01 V1 CG2 = 19.7(D), Expected = 21.31, Std = 1.7600, ChiSquare = 3.6031e-01 V1 HA = 3.8(D), Expected = 4.16, Std = 0.5700, ChiSquare = 5.2766e-01 V1 HB = 2.22(D), Expected = 1.99, Std = 0.3300, ChiSquare = 4.8582e-01 V1 HG1 = 1.04(D), Expected = 0.84, Std = 0.2700, ChiSquare = 4.5885e-01 V1 HG2 = 1.04(D), Expected = 0.83, Std = 0.2900, ChiSquare = 4.6898e-01 D2 C = 175.7(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.8832e-01 D2 CA = 54.3(D), Expected = 54.52, Std = 2.1000, ChiSquare = 9.1656e-01 D2 CB = 41.6(D), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8994e-01 D2 H = 8.76(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.5062e-01 D2 HA = 4.71(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.4701e-01 D2 HB2 = 2.65(D), Expected = 2.74, Std = 0.2900, ChiSquare = 7.5630e-01 D2 HB3 = 2.78(D), Expected = 2.70, Std = 0.2900, ChiSquare = 7.8265e-01 D2 N = 126.2(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.9279e-01 N3 C = 176(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.3317e-01 N3 CA = 53.4(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.8766e-01 N3 CB = 39(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.4852e-01 N3 H = 8.54(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.9368e-01 N3 HA = 4.74(D), Expected = 4.70, Std = 0.3900, ChiSquare = 9.1831e-01 N3 HB2 = 2.85(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.8309e-01 N3 HB3 = 2.85(D), Expected = 2.78, Std = 0.3400, ChiSquare = 8.3688e-01 N3 HD21 = 6.98(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.7705e-01 N3 HD22 = 7.63(D), Expected = 7.20, Std = 0.5200, ChiSquare = 4.0828e-01 N3 N = 121.6(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.7628e-01 N3 ND2 = 113.2(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.8684e-01 K4 C = 177.2(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.1812e-01 K4 CA = 57.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.3756e-01 K4 CB = 32.4(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.1908e-01 K4 CG = 24.4(D), Expected = 24.91, Std = 1.3100, ChiSquare = 6.9704e-01 K4 CD = 29(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.7424e-01 K4 CE = 41.9(D), Expected = 41.78, Std = 0.9800, ChiSquare = 9.0254e-01 K4 H = 8.42(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.5466e-01 K4 HA = 4.12(D), Expected = 4.28, Std = 0.4500, ChiSquare = 7.2217e-01 K4 HB2 = 1.6(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.4725e-01 K4 HB3 = 1.65(D), Expected = 1.78, Std = 0.2600, ChiSquare = 6.1707e-01 K4 HG2 = 1.12(D), Expected = 1.38, Std = 0.2700, ChiSquare = 3.3557e-01 K4 HG3 = 1.12(D), Expected = 1.37, Std = 0.2900, ChiSquare = 3.8865e-01 K4 HD2 = 1.56(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.4148e-01 K4 HD3 = 1.56(D), Expected = 1.61, Std = 0.2500, ChiSquare = 8.4148e-01 K4 HE2 = 2.89(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4148e-01 K4 HE3 = 2.89(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4148e-01 K4 N = 122.6(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.2606e-01 F5 C = 176.3(D), Expected = 175.49, Std = 2.1300, ChiSquare = 7.0374e-01 F5 CA = 58.2(D), Expected = 58.25, Std = 2.7300, ChiSquare = 9.8539e-01 F5 CB = 39.2(D), Expected = 39.95, Std = 2.0400, ChiSquare = 7.1314e-01 F5 CE1 = 132(D), Expected = 130.48, Std = 1.2900, ChiSquare = 2.3868e-01 F5 CE2 = 132(D), Expected = 130.60, Std = 0.9700, ChiSquare = 1.4894e-01 F5 H = 8.22(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.8695e-01 F5 HA = 4.76(D), Expected = 4.62, Std = 0.5800, ChiSquare = 8.0926e-01 F5 HB2 = 2.97(D), Expected = 2.99, Std = 0.3700, ChiSquare = 9.5689e-01 F5 HB3 = 3.36(D), Expected = 2.97, Std = 0.3800, ChiSquare = 3.0474e-01 F5 HD1 = 7.3(D), Expected = 6.91, Std = 0.8200, ChiSquare = 6.3435e-01 F5 HD2 = 7.3(D), Expected = 6.89, Std = 0.8600, ChiSquare = 6.3354e-01 F5 HE1 = 7.41(D), Expected = 6.95, Std = 0.8200, ChiSquare = 5.7481e-01 F5 HE2 = 7.41(D), Expected = 6.94, Std = 0.8600, ChiSquare = 5.8471e-01 F5 HZ = 7.35(D), Expected = 6.92, Std = 0.8000, ChiSquare = 5.9092e-01 F5 N = 118.9(D), Expected = 120.69, Std = 4.1800, ChiSquare = 6.6848e-01 N6 C = 176.5(D), Expected = 175.16, Std = 1.7600, ChiSquare = 4.4644e-01 N6 CA = 56.2(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.5334e-01 N6 CB = 38.9(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.9275e-01 N6 H = 8.01(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.7968e-01 N6 HA = 4.75(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.9799e-01 N6 HB2 = 2.87(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.3688e-01 N6 HB3 = 2.87(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.9124e-01 N6 HD21 = 7.41(D), Expected = 7.27, Std = 0.5200, ChiSquare = 7.8775e-01 N6 HD22 = 7.61(D), Expected = 7.20, Std = 0.5200, ChiSquare = 4.3043e-01 N6 N = 120.2(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.0872e-01 N6 ND2 = 114.6(D), Expected = 112.83, Std = 2.6000, ChiSquare = 4.9602e-01 K7 C = 178.9(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.3395e-01 K7 CA = 58.1(D), Expected = 56.84, Std = 2.2500, ChiSquare = 5.7548e-01 K7 CB = 31.6(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.1295e-01 K7 CG = 24.8(D), Expected = 24.91, Std = 1.3100, ChiSquare = 9.3308e-01 K7 H = 8.26(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.5016e-01 K7 HA = 4.25(D), Expected = 4.28, Std = 0.4500, ChiSquare = 9.4685e-01 K7 HB2 = 1.79(D), Expected = 1.79, Std = 0.2500, ChiSquare = 1.0000e+00 K7 HB3 = 1.79(D), Expected = 1.78, Std = 0.2600, ChiSquare = 9.6932e-01 K7 HG2 = 1.4(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.4095e-01 K7 HG3 = 1.51(D), Expected = 1.37, Std = 0.2900, ChiSquare = 6.2927e-01 K7 HE2 = 3.01(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.8916e-01 K7 HE3 = 3.01(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.8916e-01 K7 N = 119.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.5917e-01 E8 C = 180(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.4568e-01 E8 CA = 59.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.1953e-01 E8 CB = 29.2(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.3634e-01 E8 CG = 36.7(D), Expected = 36.01, Std = 1.5100, ChiSquare = 6.4770e-01 E8 H = 8.28(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.2165e-01 E8 HA = 4.06(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.4185e-01 E8 HB2 = 2.24(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.6330e-01 E8 HB3 = 2.08(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.6193e-01 E8 HG2 = 2.4(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.6823e-01 E8 HG3 = 2.4(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.6823e-01 E8 N = 121.3(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.6621e-01 Q10 HB2 = 0.69(S), Expected = 2.05, Std = 0.2800, ChiSquare = 1.1909e-06 A12 C = 178.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8314e-01 A12 CA = 55.5(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.5599e-01 A12 CB = 18.2(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.0515e-01 A12 H = 7.97(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 A12 HA = 4.05(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.1707e-01 A12 HB = 1.42(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7288e-01 A12 N = 122.4(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.2250e-01 E15 C = 180.4(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.0006e-01 E15 CA = 59.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.5746e-01 E15 CB = 30(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.6965e-01 E15 CG = 35.9(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.4193e-01 E15 H = 8.41(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.0864e-01 E15 HA = 3.87(D), Expected = 4.26, Std = 0.4300, ChiSquare = 3.6442e-01 E15 HB2 = 2.02(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.2757e-01 E15 HB3 = 2.08(D), Expected = 2.04, Std = 0.2300, ChiSquare = 8.6193e-01 E15 HG2 = 2.32(D), Expected = 2.31, Std = 0.2100, ChiSquare = 9.6202e-01 E15 HG3 = 2.41(D), Expected = 2.31, Std = 0.2100, ChiSquare = 6.3394e-01 E15 N = 118.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.7193e-01 I16 C = 178.4(D), Expected = 175.82, Std = 1.9500, ChiSquare = 1.8581e-01 I16 CA = 65.6(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.4918e-01 I16 CB = 37.6(D), Expected = 38.58, Std = 2.0900, ChiSquare = 6.3914e-01 I16 CG1 = 30.8(D), Expected = 27.65, Std = 2.3200, ChiSquare = 1.7454e-01 I16 CG2 = 17.2(D), Expected = 17.36, Std = 1.6000, ChiSquare = 9.2034e-01 I16 CD1 = 13.2(D), Expected = 13.41, Std = 1.9100, ChiSquare = 9.1245e-01 I16 H = 8.75(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.9011e-01 I16 HA = 3.49(D), Expected = 4.20, Std = 0.5600, ChiSquare = 2.0485e-01 I16 HB = 1.91(D), Expected = 1.80, Std = 0.3100, ChiSquare = 7.2271e-01 I16 HG2 = 0.85(D), Expected = 0.80, Std = 0.2900, ChiSquare = 8.6311e-01 I16 HG12 = 0.61(D), Expected = 1.30, Std = 0.4000, ChiSquare = 8.4528e-02 I16 HG13 = 1.88(D), Expected = 1.24, Std = 0.4000, ChiSquare = 1.0960e-01 I16 HD1 = 0.62(D), Expected = 0.70, Std = 0.3000, ChiSquare = 7.8973e-01 I16 N = 121.4(D), Expected = 121.60, Std = 4.7200, ChiSquare = 9.6620e-01 L19 C = 177(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.8855e-01 L19 CA = 53.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.4856e-01 L19 CB = 40.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 2.4334e-01 L19 CG = 25.4(D), Expected = 26.77, Std = 1.2500, ChiSquare = 2.7308e-01 L19 CD1 = 27.3(D), Expected = 24.73, Std = 1.7100, ChiSquare = 1.3286e-01 L19 CD2 = 23.2(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.1312e-01 L19 H = 7.17(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.0623e-01 L19 HA = 4.45(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.8209e-01 L19 HB2 = 1.8(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.1707e-01 L19 HB3 = 1.3(D), Expected = 1.57, Std = 0.3600, ChiSquare = 4.5325e-01 L19 HG = 2.1(D), Expected = 1.54, Std = 0.3300, ChiSquare = 8.9702e-02 L19 HD1 = 0.7(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9544e-01 L19 HD2 = 0.83(D), Expected = 0.76, Std = 0.2800, ChiSquare = 8.0259e-01 L19 N = 122.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.5958e-01 P20 C = 178.2(D), Expected = 176.70, Std = 1.6900, ChiSquare = 3.7477e-01 P20 CA = 65.2(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.4665e-01 P20 CB = 32.4(D), Expected = 31.81, Std = 1.5400, ChiSquare = 7.0163e-01 P20 CG = 27(D), Expected = 27.14, Std = 1.1800, ChiSquare = 9.0556e-01 P20 CD = 51.7(D), Expected = 50.28, Std = 1.0400, ChiSquare = 1.7213e-01 P20 HA = 4.34(D), Expected = 4.41, Std = 0.3600, ChiSquare = 8.4583e-01 P20 HB2 = 1.96(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.1749e-01 P20 HB3 = 2.27(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.7268e-01 P20 HG2 = 2.02(D), Expected = 1.93, Std = 0.3600, ChiSquare = 8.0259e-01 P20 HG3 = 2.13(D), Expected = 1.92, Std = 0.3700, ChiSquare = 5.7033e-01 P20 HD2 = 3.83(D), Expected = 3.64, Std = 0.3600, ChiSquare = 5.9765e-01 P20 HD3 = 4.09(D), Expected = 3.63, Std = 0.4000, ChiSquare = 2.5014e-01 N21 C = 176.2(D), Expected = 175.16, Std = 1.7600, ChiSquare = 5.5458e-01 N21 CA = 52.9(D), Expected = 53.43, Std = 1.9400, ChiSquare = 7.8470e-01 N21 CB = 38.8(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.3731e-01 N21 H = 8.84(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.6963e-01 N21 HA = 4.97(D), Expected = 4.70, Std = 0.3900, ChiSquare = 4.8874e-01 N21 HB2 = 2.85(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.8309e-01 N21 HB3 = 2.9(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.2413e-01 N21 HD21 = 6.98(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.7705e-01 N21 HD22 = 7.39(D), Expected = 7.20, Std = 0.5200, ChiSquare = 7.1482e-01 N21 N = 114.7(D), Expected = 119.13, Std = 4.4200, ChiSquare = 3.1622e-01 N21 ND2 = 115.3(D), Expected = 112.83, Std = 2.6000, ChiSquare = 3.4211e-01 L22 C = 176.5(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.2207e-01 L22 CA = 54.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.7166e-01 L22 CB = 43.2(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.5543e-01 L22 CG = 27.4(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.1426e-01 L22 CD1 = 26.7(D), Expected = 24.73, Std = 1.7100, ChiSquare = 2.4930e-01 L22 CD2 = 22.5(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.6872e-01 L22 H = 6.46(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.7753e-03 L22 HA = 4.45(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.8209e-01 L22 HB2 = 1.61(D), Expected = 1.63, Std = 0.3400, ChiSquare = 9.5309e-01 L22 HB3 = 1.68(D), Expected = 1.57, Std = 0.3600, ChiSquare = 7.5994e-01 L22 HG = 1.68(D), Expected = 1.54, Std = 0.3300, ChiSquare = 6.7139e-01 L22 HD1 = 0.97(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.5885e-01 L22 HD2 = 0.89(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.4244e-01 L22 N = 118(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.2813e-01 N23 C = 175.9(D), Expected = 175.16, Std = 1.7600, ChiSquare = 6.7415e-01 N23 CA = 51.3(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.7223e-01 N23 CB = 38.8(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.3731e-01 N23 H = 8.55(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.8184e-01 N23 HA = 4.94(D), Expected = 4.70, Std = 0.3900, ChiSquare = 5.3830e-01 N23 HB2 = 3.29(D), Expected = 2.80, Std = 0.3400, ChiSquare = 1.4953e-01 N23 HB3 = 2.84(D), Expected = 2.78, Std = 0.3400, ChiSquare = 8.5992e-01 N23 HD21 = 7.03(D), Expected = 7.27, Std = 0.5200, ChiSquare = 6.4441e-01 N23 HD22 = 7.49(D), Expected = 7.20, Std = 0.5200, ChiSquare = 5.7705e-01 N23 N = 120.2(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.0872e-01 N23 ND2 = 112.5(D), Expected = 112.83, Std = 2.6000, ChiSquare = 8.9900e-01 Q26 C = 178.7(D), Expected = 176.39, Std = 1.9600, ChiSquare = 2.3857e-01 Q26 CA = 58.2(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.7063e-01 Q26 CB = 28.8(D), Expected = 29.10, Std = 1.9700, ChiSquare = 8.7896e-01 Q26 CG = 34(D), Expected = 33.72, Std = 1.1000, ChiSquare = 7.9907e-01 Q26 H = 8.53(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.1707e-01 Q26 HA = 4.02(D), Expected = 4.28, Std = 0.4400, ChiSquare = 5.5458e-01 Q26 HB2 = 2.49(D), Expected = 2.05, Std = 0.2800, ChiSquare = 1.1608e-01 Q26 HB3 = 1.7(D), Expected = 2.04, Std = 0.2900, ChiSquare = 2.4103e-01 Q26 HG2 = 2.4(D), Expected = 2.32, Std = 0.2900, ChiSquare = 7.8265e-01 Q26 HG3 = 2.79(D), Expected = 2.32, Std = 0.2900, ChiSquare = 1.0508e-01 Q26 HE21 = 7.6(D), Expected = 7.17, Std = 0.4600, ChiSquare = 3.4990e-01 Q26 HE22 = 8.25(D), Expected = 7.07, Std = 0.4900, ChiSquare = 1.6033e-02 Q26 N = 120.8(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.2630e-01 Q26 NE2 = 113.3(D), Expected = 111.81, Std = 2.2000, ChiSquare = 4.9823e-01 A29 C = 181.1(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.3009e-01 A29 CA = 55.4(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.7687e-01 A29 CB = 17.8(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.5211e-01 A29 H = 7.95(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7692e-01 A29 HA = 4.14(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.7510e-01 A29 HB = 1.37(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.6809e-01 A29 N = 123.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.4183e-01 F30 C = 178(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.3864e-01 F30 CA = 62.7(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.0309e-01 F30 CB = 39.5(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.2541e-01 F30 H = 8.15(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.1521e-01 F30 HA = 4.38(D), Expected = 4.62, Std = 0.5800, ChiSquare = 6.7903e-01 F30 HB2 = 3.06(D), Expected = 2.99, Std = 0.3700, ChiSquare = 8.4994e-01 F30 HB3 = 3.13(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.7372e-01 F30 HD1 = 7.32(D), Expected = 6.91, Std = 0.8200, ChiSquare = 6.1707e-01 F30 HD2 = 7.32(D), Expected = 6.89, Std = 0.8600, ChiSquare = 6.1707e-01 F30 HE1 = 7.35(D), Expected = 6.95, Std = 0.8200, ChiSquare = 6.2569e-01 F30 HE2 = 7.35(D), Expected = 6.94, Std = 0.8600, ChiSquare = 6.3354e-01 F30 HZ = 7.18(D), Expected = 6.92, Std = 0.8000, ChiSquare = 7.4518e-01 F30 N = 117.3(D), Expected = 120.69, Std = 4.1800, ChiSquare = 4.1736e-01 I31 C = 177.1(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.1156e-01 I31 CA = 66.2(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.7262e-02 I31 CB = 37.8(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.0900e-01 I31 CG1 = 31.5(D), Expected = 27.65, Std = 2.3200, ChiSquare = 9.7019e-02 I31 CG2 = 18.5(D), Expected = 17.36, Std = 1.6000, ChiSquare = 4.7616e-01 I31 CD1 = 14.9(D), Expected = 13.41, Std = 1.9100, ChiSquare = 4.3533e-01 I31 H = 8.34(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.1029e-01 I31 HA = 3.78(D), Expected = 4.20, Std = 0.5600, ChiSquare = 4.5325e-01 I31 HB = 2.17(D), Expected = 1.80, Std = 0.3100, ChiSquare = 2.3265e-01 I31 HG2 = 1.15(D), Expected = 0.80, Std = 0.2900, ChiSquare = 2.2747e-01 I31 HG12 = 1.34(D), Expected = 1.30, Std = 0.4000, ChiSquare = 9.2034e-01 I31 HG13 = 2.19(D), Expected = 1.24, Std = 0.4000, ChiSquare = 1.7549e-02 I31 HD1 = 1.11(D), Expected = 0.70, Std = 0.3000, ChiSquare = 1.7173e-01 I31 N = 120.1(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.5064e-01 S33 C = 175.8(D), Expected = 174.53, Std = 1.7300, ChiSquare = 4.6289e-01 S33 CA = 62.7(D), Expected = 58.57, Std = 2.1200, ChiSquare = 5.1401e-02 S33 CB = 63.5(D), Expected = 63.80, Std = 1.5700, ChiSquare = 8.4846e-01 S33 H = 8.1(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.5926e-01 S33 HA = 4.29(D), Expected = 4.51, Std = 0.4300, ChiSquare = 6.0891e-01 S33 HB2 = 4.11(D), Expected = 3.88, Std = 0.2900, ChiSquare = 4.2772e-01 S33 HB3 = 4.04(D), Expected = 3.87, Std = 0.3100, ChiSquare = 5.8343e-01 S33 N = 116.1(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.5962e-01 L34 C = 178.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.5619e-01 L34 CA = 57.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.2845e-01 L34 CB = 43.1(D), Expected = 42.37, Std = 1.8600, ChiSquare = 6.9471e-01 L34 CG = 26.8(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.8085e-01 L34 CD1 = 25(D), Expected = 24.73, Std = 1.7100, ChiSquare = 8.7454e-01 L34 CD2 = 25.8(D), Expected = 24.10, Std = 1.7800, ChiSquare = 3.3955e-01 L34 H = 8.26(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.5093e-01 L34 HA = 3.91(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.8302e-01 L34 HB2 = 1.96(D), Expected = 1.63, Std = 0.3400, ChiSquare = 3.3175e-01 L34 HB3 = 1.96(D), Expected = 1.57, Std = 0.3600, ChiSquare = 2.7866e-01 L34 HG = 1.88(D), Expected = 1.54, Std = 0.3300, ChiSquare = 3.0287e-01 L34 HD1 = 0.87(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1111e-01 L34 HD2 = 0.79(D), Expected = 0.76, Std = 0.2800, ChiSquare = 9.1468e-01 L34 N = 124(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.1967e-01 K35 HE2 = 1.81(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.1435e-08 K35 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 K35 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 D36 C = 177.2(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.5536e-01 D36 CA = 56.8(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.7761e-01 D36 CB = 41.4(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.7510e-01 D36 H = 8.12(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.1256e-01 D36 HA = 4.47(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.5155e-01 D36 HB2 = 2.71(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.1761e-01 D36 HB3 = 2.75(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.6311e-01 D36 N = 119.3(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.3350e-01 D37 CA = 51.5(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.5041e-01 D37 CB = 40.7(D), Expected = 40.70, Std = 1.6700, ChiSquare = 1.0000e+00 D37 H = 7.77(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.2588e-01 D37 HA = 5.04(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.6541e-01 D37 HB2 = 2.48(D), Expected = 2.74, Std = 0.2900, ChiSquare = 3.6996e-01 D37 HB3 = 3.01(D), Expected = 2.70, Std = 0.2900, ChiSquare = 2.8509e-01 D37 N = 115.9(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.5014e-01 P38 C = 178.5(D), Expected = 176.70, Std = 1.6900, ChiSquare = 2.8684e-01 P38 CA = 64.6(D), Expected = 63.30, Std = 1.6400, ChiSquare = 4.2796e-01 P38 CB = 32.5(D), Expected = 31.81, Std = 1.5400, ChiSquare = 6.5412e-01 P38 CG = 27.1(D), Expected = 27.14, Std = 1.1800, ChiSquare = 9.7296e-01 P38 CD = 50.5(D), Expected = 50.28, Std = 1.0400, ChiSquare = 8.3247e-01 P38 HA = 4.45(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.1153e-01 P38 HB2 = 1.97(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.3747e-01 P38 HB3 = 2.43(D), Expected = 2.05, Std = 0.3900, ChiSquare = 3.2988e-01 P38 HG2 = 2.11(D), Expected = 1.93, Std = 0.3600, ChiSquare = 6.1707e-01 P38 HG3 = 2.22(D), Expected = 1.92, Std = 0.3700, ChiSquare = 4.1747e-01 P38 HD2 = 3.61(D), Expected = 3.64, Std = 0.3600, ChiSquare = 9.3359e-01 P38 HD3 = 3.88(D), Expected = 3.63, Std = 0.4000, ChiSquare = 5.3197e-01 S39 C = 176.1(D), Expected = 174.53, Std = 1.7300, ChiSquare = 3.6414e-01 S39 CA = 60.7(D), Expected = 58.57, Std = 2.1200, ChiSquare = 3.1503e-01 S39 CB = 63.1(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.5570e-01 S39 H = 8.14(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.0883e-01 S39 HA = 3.68(D), Expected = 4.51, Std = 0.4300, ChiSquare = 5.3578e-02 S39 HB2 = 3.89(D), Expected = 3.88, Std = 0.2900, ChiSquare = 9.7249e-01 S39 HB3 = 3.89(D), Expected = 3.87, Std = 0.3100, ChiSquare = 9.4856e-01 S39 N = 114.1(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.7755e-01 Q40 C = 176.1(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.8238e-01 Q40 CA = 55(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.5947e-01 Q40 CB = 28.3(D), Expected = 29.10, Std = 1.9700, ChiSquare = 6.8468e-01 Q40 CG = 33.5(D), Expected = 33.72, Std = 1.1000, ChiSquare = 8.4148e-01 Q40 H = 7.71(D), Expected = 8.22, Std = 0.6200, ChiSquare = 4.1075e-01 Q40 HA = 4.64(D), Expected = 4.28, Std = 0.4400, ChiSquare = 4.1325e-01 Q40 HB2 = 1.96(D), Expected = 2.05, Std = 0.2800, ChiSquare = 7.4789e-01 Q40 HB3 = 2.65(D), Expected = 2.04, Std = 0.2900, ChiSquare = 3.5427e-02 Q40 HG2 = 2.24(D), Expected = 2.32, Std = 0.2900, ChiSquare = 7.8265e-01 Q40 HG3 = 2.44(D), Expected = 2.32, Std = 0.2900, ChiSquare = 6.7903e-01 Q40 HE21 = 6.82(D), Expected = 7.17, Std = 0.4600, ChiSquare = 4.4674e-01 Q40 HE22 = 7.49(D), Expected = 7.07, Std = 0.4900, ChiSquare = 3.9137e-01 Q40 N = 120.9(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.0693e-01 Q40 NE2 = 114.8(D), Expected = 111.81, Std = 2.2000, ChiSquare = 1.7412e-01 S41 C = 174.4(D), Expected = 174.53, Std = 1.7300, ChiSquare = 9.4010e-01 S41 CA = 64.1(D), Expected = 58.57, Std = 2.1200, ChiSquare = 9.0943e-03 S41 CB = 63.2(D), Expected = 63.80, Std = 1.5700, ChiSquare = 7.0234e-01 S41 H = 7.52(D), Expected = 8.29, Std = 0.6200, ChiSquare = 2.1426e-01 S41 HA = 3.8(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.8705e-02 S41 HB2 = 3.68(D), Expected = 3.88, Std = 0.2900, ChiSquare = 4.9041e-01 S41 HB3 = 3.68(D), Expected = 3.87, Std = 0.3100, ChiSquare = 5.3994e-01 S41 N = 116.5(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.5962e-01 A42 C = 181(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.4213e-01 A42 CA = 55.5(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.5599e-01 A42 CB = 17.9(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8882e-01 A42 H = 8.51(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0539e-01 A42 HA = 4.11(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.2098e-01 A42 HB = 1.42(D), Expected = 1.38, Std = 0.2500, ChiSquare = 8.7288e-01 A42 N = 123.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.9353e-01 N43 C = 178(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.0661e-01 N43 CA = 55.9(D), Expected = 53.43, Std = 1.9400, ChiSquare = 2.0295e-01 N43 CB = 38(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.1080e-01 N43 H = 7.94(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.0827e-01 N43 HA = 4.52(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.4441e-01 N43 HB2 = 2.89(D), Expected = 2.80, Std = 0.3400, ChiSquare = 7.9124e-01 N43 HB3 = 2.89(D), Expected = 2.78, Std = 0.3400, ChiSquare = 7.4629e-01 N43 HD21 = 6.96(D), Expected = 7.27, Std = 0.5200, ChiSquare = 5.5107e-01 N43 HD22 = 7.76(D), Expected = 7.20, Std = 0.5200, ChiSquare = 2.8151e-01 N43 N = 119.7(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.9739e-01 N43 ND2 = 113.5(D), Expected = 112.83, Std = 2.6000, ChiSquare = 7.9664e-01 L44 C = 178.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.0781e-01 L44 CA = 58(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.8762e-01 L44 CB = 42.4(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.8713e-01 L44 CG = 27.4(D), Expected = 26.77, Std = 1.2500, ChiSquare = 6.1426e-01 L44 CD1 = 26.1(D), Expected = 24.73, Std = 1.7100, ChiSquare = 4.2303e-01 L44 CD2 = 23.6(D), Expected = 24.10, Std = 1.7800, ChiSquare = 7.7879e-01 L44 H = 8.66(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.9845e-01 L44 HA = 4.2(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9848e-01 L44 HB2 = 1.91(D), Expected = 1.63, Std = 0.3400, ChiSquare = 4.1021e-01 L44 HB3 = 1.34(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.2290e-01 L44 HG = 1.88(D), Expected = 1.54, Std = 0.3300, ChiSquare = 3.0287e-01 L44 HD1 = 0.84(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9544e-01 L44 HD2 = 1.12(D), Expected = 0.76, Std = 0.2800, ChiSquare = 1.9854e-01 L44 N = 122.8(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.4033e-01 L45 C = 178.1(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.8874e-01 L45 CA = 58(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.8762e-01 L45 CB = 41.8(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.5926e-01 L45 CG = 27(D), Expected = 26.77, Std = 1.2500, ChiSquare = 8.5401e-01 L45 CD1 = 24(D), Expected = 24.73, Std = 1.7100, ChiSquare = 6.6945e-01 L45 CD2 = 25.2(D), Expected = 24.10, Std = 1.7800, ChiSquare = 5.3659e-01 L45 H = 8.22(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.0000e+00 L45 HA = 3.85(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.1731e-01 L45 HB2 = 1.49(D), Expected = 1.63, Std = 0.3400, ChiSquare = 6.8051e-01 L45 HB3 = 1.89(D), Expected = 1.57, Std = 0.3600, ChiSquare = 3.7406e-01 L45 HG = 1.58(D), Expected = 1.54, Std = 0.3300, ChiSquare = 9.0352e-01 L45 HD1 = 0.91(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0410e-01 L45 HD2 = 0.89(D), Expected = 0.76, Std = 0.2800, ChiSquare = 6.4244e-01 L45 N = 119.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.5870e-01 A46 C = 181.3(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.0838e-01 A46 CA = 55.4(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.7687e-01 A46 CB = 17.8(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.5211e-01 A46 H = 7.68(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8612e-01 A46 HA = 4.04(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.0041e-01 A46 HB = 1.55(D), Expected = 1.38, Std = 0.2500, ChiSquare = 4.9650e-01 A46 N = 120.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.2887e-01 E47 C = 179(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.2657e-01 E47 CA = 59.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.1634e-01 E47 CB = 29.5(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.5673e-01 E47 CG = 36(D), Expected = 36.01, Std = 1.5100, ChiSquare = 9.9472e-01 E47 H = 8.13(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.3065e-01 E47 HA = 4.05(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.2529e-01 E47 HB2 = 2.3(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3728e-01 E47 HB3 = 2.3(D), Expected = 2.04, Std = 0.2300, ChiSquare = 2.5829e-01 E47 HG2 = 2.5(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.6559e-01 E47 HG3 = 2.5(D), Expected = 2.31, Std = 0.2100, ChiSquare = 3.6559e-01 E47 N = 120.4(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.3935e-01 A48 C = 179.6(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.0898e-01 A48 CA = 55.5(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.5599e-01 A48 CB = 17(D), Expected = 18.90, Std = 1.8500, ChiSquare = 3.0441e-01 A48 H = 8.43(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 A48 HA = 3.52(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.8085e-02 A48 HB = 0.52(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.8171e-04 A48 N = 124.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.7133e-01 K49 C = 178.7(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.7453e-01 K49 CA = 60.4(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.1360e-01 K49 CB = 32.2(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3754e-01 K49 CG = 26.6(D), Expected = 24.91, Std = 1.3100, ChiSquare = 1.9702e-01 K49 CD = 29.3(D), Expected = 28.78, Std = 1.3900, ChiSquare = 7.0833e-01 K49 CE = 41.7(D), Expected = 41.78, Std = 0.9800, ChiSquare = 9.3494e-01 K49 H = 8.41(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.6656e-01 K49 HA = 3.77(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.5707e-01 K49 HB2 = 1.81(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.3624e-01 K49 HB3 = 1.95(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.1321e-01 K49 HG2 = 1.35(D), Expected = 1.38, Std = 0.2700, ChiSquare = 9.1153e-01 K49 HG3 = 1.61(D), Expected = 1.37, Std = 0.2900, ChiSquare = 4.0791e-01 K49 HD2 = 1.61(D), Expected = 1.61, Std = 0.2500, ChiSquare = 1.0000e+00 K49 HD3 = 1.68(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.7948e-01 K49 HE2 = 2.83(D), Expected = 2.93, Std = 0.2000, ChiSquare = 6.1707e-01 K49 HE3 = 2.93(D), Expected = 2.93, Std = 0.2000, ChiSquare = 1.0000e+00 K49 N = 119.1(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.1622e-01 K50 C = 179.9(D), Expected = 176.46, Std = 2.0500, ChiSquare = 9.3338e-02 K50 CA = 59.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.7383e-01 K50 CB = 32.5(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.6066e-01 K50 CG = 25.1(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.8468e-01 K50 CD = 29.5(D), Expected = 28.78, Std = 1.3900, ChiSquare = 6.0447e-01 K50 CE = 41.9(D), Expected = 41.78, Std = 0.9800, ChiSquare = 9.0254e-01 K50 H = 7.71(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.2552e-01 K50 HA = 4.1(D), Expected = 4.28, Std = 0.4500, ChiSquare = 6.8916e-01 K50 HB2 = 1.96(D), Expected = 1.79, Std = 0.2500, ChiSquare = 4.9650e-01 K50 HB3 = 1.96(D), Expected = 1.78, Std = 0.2600, ChiSquare = 4.8874e-01 K50 HG2 = 1.43(D), Expected = 1.38, Std = 0.2700, ChiSquare = 8.5308e-01 K50 HG3 = 1.63(D), Expected = 1.37, Std = 0.2900, ChiSquare = 3.6996e-01 K50 HD2 = 1.73(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.3123e-01 K50 HD3 = 1.73(D), Expected = 1.61, Std = 0.2500, ChiSquare = 6.3123e-01 K50 HE2 = 2.97(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4148e-01 K50 HE3 = 2.97(D), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4148e-01 K50 N = 120.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.4956e-01 L51 C = 178.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.5619e-01 L51 CA = 57.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0253e-01 L51 CB = 42.1(D), Expected = 42.37, Std = 1.8600, ChiSquare = 8.8458e-01 L51 CG = 26.9(D), Expected = 26.77, Std = 1.2500, ChiSquare = 9.1717e-01 L51 CD1 = 23.7(D), Expected = 24.73, Std = 1.7100, ChiSquare = 5.4695e-01 L51 CD2 = 25(D), Expected = 24.10, Std = 1.7800, ChiSquare = 6.1312e-01 L51 H = 8(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.3502e-01 L51 HA = 4.2(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9848e-01 L51 HB2 = 1.74(D), Expected = 1.63, Std = 0.3400, ChiSquare = 7.4629e-01 L51 HB3 = 1.78(D), Expected = 1.57, Std = 0.3600, ChiSquare = 5.5967e-01 L51 HG = 1.59(D), Expected = 1.54, Std = 0.3300, ChiSquare = 8.7957e-01 L51 HD1 = 1(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9430e-01 L51 HD2 = 1.02(D), Expected = 0.76, Std = 0.2800, ChiSquare = 3.5311e-01 L51 N = 122.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.2117e-01 N52 C = 177.7(D), Expected = 175.16, Std = 1.7600, ChiSquare = 1.4897e-01 N52 CA = 58(D), Expected = 53.43, Std = 1.9400, ChiSquare = 1.8489e-02 N52 CB = 41.9(D), Expected = 38.66, Std = 1.7800, ChiSquare = 6.8725e-02 N52 H = 8.51(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.2947e-01 N52 HA = 3.96(D), Expected = 4.70, Std = 0.3900, ChiSquare = 5.7771e-02 N52 HB2 = 2.38(D), Expected = 2.80, Std = 0.3400, ChiSquare = 2.1672e-01 N52 HB3 = 3.13(D), Expected = 2.78, Std = 0.3400, ChiSquare = 3.0329e-01 N52 HD21 = 6.84(D), Expected = 7.27, Std = 0.5200, ChiSquare = 4.0828e-01 N52 HD22 = 7.89(D), Expected = 7.20, Std = 0.5200, ChiSquare = 1.8453e-01 N52 N = 117.6(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.2923e-01 N52 ND2 = 116.8(D), Expected = 112.83, Std = 2.6000, ChiSquare = 1.2678e-01 D53 C = 178.9(D), Expected = 176.41, Std = 1.7700, ChiSquare = 1.5949e-01 D53 CA = 57(D), Expected = 54.52, Std = 2.1000, ChiSquare = 2.3762e-01 D53 CB = 40.1(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.1938e-01 D53 H = 8.23(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.6074e-01 D53 HA = 4.46(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.2848e-01 D53 HB2 = 2.72(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.4502e-01 D53 HB3 = 2.77(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.0926e-01 D53 N = 119.7(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.0627e-01 A54 C = 179.3(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.9141e-01 A54 CA = 54.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.7999e-01 A54 CB = 18.5(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.2882e-01 A54 H = 8.01(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 A54 HA = 4.26(D), Expected = 4.26, Std = 0.4200, ChiSquare = 1.0000e+00 A54 HB = 1.61(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.5757e-01 A54 N = 123.7(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.9892e-01 Q55 C = 174.2(D), Expected = 176.39, Std = 1.9600, ChiSquare = 2.6385e-01 Q55 CA = 55.1(D), Expected = 56.62, Std = 2.1900, ChiSquare = 4.8764e-01 Q55 CB = 28.3(D), Expected = 29.10, Std = 1.9700, ChiSquare = 6.8468e-01 Q55 CG = 35.9(D), Expected = 33.72, Std = 1.1000, ChiSquare = 4.7500e-02 Q55 H = 7.51(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.5214e-01 Q55 HA = 4.4(D), Expected = 4.28, Std = 0.4400, ChiSquare = 7.8506e-01 Q55 HB2 = 1.8(D), Expected = 2.05, Std = 0.2800, ChiSquare = 3.7193e-01 Q55 HB3 = 2.48(D), Expected = 2.04, Std = 0.2900, ChiSquare = 1.2921e-01 Q55 HG2 = 2.31(D), Expected = 2.32, Std = 0.2900, ChiSquare = 9.7249e-01 Q55 HG3 = 2.65(D), Expected = 2.32, Std = 0.2900, ChiSquare = 2.5515e-01 Q55 HE21 = 7.2(D), Expected = 7.17, Std = 0.4600, ChiSquare = 9.4800e-01 Q55 HE22 = 8.65(D), Expected = 7.07, Std = 0.4900, ChiSquare = 1.2620e-03 Q55 N = 116(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.2829e-01 Q55 NE2 = 111.6(D), Expected = 111.81, Std = 2.2000, ChiSquare = 9.2395e-01 A56 C = 175.6(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.1289e-01 A56 CA = 51(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9439e-01 A56 CB = 17.9(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.8882e-01 A56 H = 7.12(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1861e-02 A56 HA = 4.37(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.9339e-01 A56 HB = 1.45(D), Expected = 1.38, Std = 0.2500, ChiSquare = 7.7948e-01 A56 N = 125.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.9443e-01 P57 C = 176.2(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.6734e-01 P57 CA = 63.5(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.0294e-01 P57 CB = 31.9(D), Expected = 31.81, Std = 1.5400, ChiSquare = 9.5340e-01 P57 CG = 27.5(D), Expected = 27.14, Std = 1.1800, ChiSquare = 7.6030e-01 P57 CD = 50.6(D), Expected = 50.28, Std = 1.0400, ChiSquare = 7.5832e-01 P57 HA = 4.43(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.5570e-01 P57 HB2 = 1.98(D), Expected = 2.05, Std = 0.3900, ChiSquare = 8.5756e-01 P57 HB3 = 2.32(D), Expected = 2.05, Std = 0.3900, ChiSquare = 4.8874e-01 P57 HG2 = 2.07(D), Expected = 1.93, Std = 0.3600, ChiSquare = 6.9736e-01 P57 HG3 = 2.1(D), Expected = 1.92, Std = 0.3700, ChiSquare = 6.2662e-01 P57 HD2 = 3.63(D), Expected = 3.64, Std = 0.3600, ChiSquare = 9.7784e-01 P57 HD3 = 3.8(D), Expected = 3.63, Std = 0.4000, ChiSquare = 6.7084e-01 K58 C = 181.5(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.3950e-02 K58 CA = 57.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.6927e-01 K58 CB = 33.9(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.6926e-01 K58 CG = 24.7(D), Expected = 24.91, Std = 1.3100, ChiSquare = 8.7264e-01 K58 CD = 29.1(D), Expected = 28.78, Std = 1.3900, ChiSquare = 8.1792e-01 K58 CE = 42.3(D), Expected = 41.78, Std = 0.9800, ChiSquare = 5.9569e-01 K58 H = 8.01(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.4282e-01 K58 HA = 4.2(D), Expected = 4.28, Std = 0.4500, ChiSquare = 8.5890e-01 K58 HB2 = 1.71(D), Expected = 1.79, Std = 0.2500, ChiSquare = 7.4897e-01 K58 HB3 = 1.87(D), Expected = 1.78, Std = 0.2600, ChiSquare = 7.2923e-01 K58 HG2 = 1.45(D), Expected = 1.38, Std = 0.2700, ChiSquare = 7.9544e-01 K58 HG3 = 1.45(D), Expected = 1.37, Std = 0.2900, ChiSquare = 7.8265e-01 K58 HD2 = 1.69(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4897e-01 K58 HD3 = 1.69(D), Expected = 1.61, Std = 0.2500, ChiSquare = 7.4897e-01 K58 HE2 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K58 HE3 = 3.04(D), Expected = 2.93, Std = 0.2000, ChiSquare = 5.8232e-01 K58 N = 128.1(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.1303e-02 K28 HG2 = -0.06(S), Expected = 1.38, Std = 0.2700, ChiSquare = 9.6426e-08 K28 HE2 = 2.27(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6685e-04 K28 HE3 = 2.27(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.6685e-04 W35 CD1 = 129.9(M), Expected = 126.16, Std = 1.7600, ChiSquare = 3.3587e-02