Y1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.16 L 0.11 M 0.09 N 0.09 H 0.08 A 0.08 Q 0.06 R 0.06 K 0.06 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> CA :: 54.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.25 HB :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 HN Overlap>> G58 C Shift Assignments>> CA :: 46.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.14 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.3 Ave N Shift Values>> N :: 109.91(4.29) P8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.17 H 0.15 W 0.14 E 0.14 M 0.12 Q 0.11 K 0.1 V 0.01 I 0.01 C Shift Assignments>> C :: 176.0(D) CA :: 56.5(D) CB :: 30.9(D) 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>> HA :: 4.37(D) HB2 :: 2.89(D) HB3 :: 3.11 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) L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.73 K 0.19 A 0.04 G 0.02 C Shift Assignments>> C :: 177.2(D) CA :: 55.3(D) CB :: 42.3(D) CG :: 26.5 CD1 :: 23.0 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 :: 7.21(D) HA :: 3.99(D) HB2 :: 0.97 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 :: 122.2(D) Ave N Shift Values>> N :: 121.98(4.07) A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 M 0.33 L 0.02 HN Overlap>> K64 C Shift Assignments>> C :: 177.8(D) CA :: 53.8(D) CB :: 19.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.35(D) HA :: 4.12(D) HB :: 1.38(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 123.23(3.7) E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 E 0.44 Q 0.02 I 0.01 C Shift Assignments>> C :: 174.9(D) CA :: 55.9(D) CB :: 33.0(D) CG :: 36.3 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 :: 7.47(D) HA :: 4.38(D) HB2 :: 2.23(D) HB3 :: 2.69 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 :: 114.0(D) Ave N Shift Values>> N :: 120.68(3.68) L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.22 R 0.15 HN Overlap>> L92 C Shift Assignments>> C :: 178.5(D) CA :: 54.6(D) CB :: 45.1(D) CG :: 28.1 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 :: 8.48(D) HA :: 4.80(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 :: 123.3(D) Ave N Shift Values>> N :: 121.98(4.07) T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.0(D) CA :: 60.9(D) CB :: 71.1(D) CG2 :: 21.7 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 :: 8.53(D) HA :: 4.40(D) HB :: 4.62(D) HG2 :: 1.16 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 :: 112.4(D) Ave N Shift Values>> N :: 115.7(5.05) A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.2 I 0.09 V 0.02 C Shift Assignments>> C :: 180.4(D) CA :: 56.3(D) CB :: 18.3(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.21(D) HA :: 4.02(D) HB :: 1.39(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) S23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 I 0.24 V 0.22 P 0.1 F 0.04 Y 0.03 S 0.03 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 177.9(D) CA :: 61.9(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.36(D) HA :: 4.19(D) HB2 :: 3.80(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 :: 111.3(D) Ave N Shift Values>> N :: 116.3(3.95) Q24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.35 Q 0.32 E 0.11 R 0.11 M 0.07 I 0.02 C Shift Assignments>> C :: 178.7(D) CA :: 59.0(D) CB :: 29.1(D) CG :: 33.3 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 :: 7.55(D) HA :: 3.77(D) HB2 :: 2.12(D) HB3 :: 1.29 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 :: 122.3(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 F 0.21 Y 0.16 C Shift Assignments>> C :: 177.0(D) CA :: 62.5(D) CB :: 39.6(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 :: 8.65(D) HA :: 3.89(D) HB2 :: 2.94(D) HB3 :: 3.23(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 :: 119.2(D) Ave N Shift Values>> N :: 120.69(4.18) L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.68 R 0.12 L 0.1 I 0.08 G 0.01 C Shift Assignments>> C :: 179.4(D) CA :: 58.2(D) CB :: 41.8(D) CG :: 24.2 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 :: 8.25(D) HA :: 3.99(D) HB2 :: 1.69(D) HB3 :: 1.86(D) HG :: 0.95 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 :: 118.7(D) Ave N Shift Values>> N :: 121.98(4.07) E27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 E 0.43 K 0.04 M 0.02 C Shift Assignments>> C :: 180.5(D) CA :: 60.3(D) CB :: 29.9(D) CG :: 36.9 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 :: 7.91(D) HA :: 3.99(D) HB2 :: 2.15(D) HB3 :: 2.34 HG2 :: 2.51 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(D) Ave N Shift Values>> N :: 120.68(3.68) I28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.96 V 0.03 C Shift Assignments>> C :: 177.7(D) CA :: 65.3(D) CB :: 37.3 CG2 :: 18.1 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 :: 8.00(D) HA :: 3.66(D) HB :: 1.01 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 :: 120.7(D) Ave N Shift Values>> N :: 121.6(4.72) W29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 W 0.16 E 0.08 V 0.06 K 0.06 P 0.06 R 0.05 H 0.05 Q 0.04 C Shift Assignments>> C :: 176.7(D) CA :: 61.3(D) CB :: 29.0(D) 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 :: 8.48(D) HA :: 3.72(D) HB2 :: 2.66 HB3 :: 3.14 HE1 :: 10.29 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 :: 120.7(D) NE1 :: 129.7 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.44 R 0.28 Q 0.15 M 0.03 V 0.02 P 0.02 I 0.01 E 0.01 C Shift Assignments>> C :: 178.4(D) CA :: 58.9(D) CB :: 32.8(D) CG :: 26.0 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 :: 8.35(D) HA :: 3.66(D) HB2 :: 1.81(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 :: 113.6(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.14 R 0.14 V 0.1 H 0.09 I 0.09 Q 0.07 K 0.06 M 0.05 P 0.01 C Shift Assignments>> C :: 176.9(D) CA :: 59.7(D) CB :: 30.7(D) 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 :: 7.59(D) HA :: 3.88(D) HB2 :: 2.85(D) 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 :: 115.6(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 F 0.26 Y 0.2 K 0.01 C Shift Assignments>> C :: 178.1(D) CA :: 61.9(D) CB :: 40.1(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 :: 7.56(D) HA :: 4.19(D) HB2 :: 2.34(D) HB3 :: 2.81(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 :: 112.1(D) Ave N Shift Values>> N :: 120.69(4.18) D33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> N 0.51 M 0.13 E 0.12 Y 0.07 K 0.04 F 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 178.1(D) CA :: 52.7(D) CB :: 36.3(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 :: 8.13(D) HA :: 4.49(D) HB2 :: 1.79(D) HB3 :: 0.77(S) 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 :: 120.2(D) Ave N Shift Values>> N :: 120.73(4.2) A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.39 I 0.02 V 0.02 L 0.01 C Shift Assignments>> C :: 179.2(D) CA :: 55.3(D) CB :: 19.3(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.27(D) HA :: 3.73(D) HB :: 1.36(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.3(D) Ave N Shift Values>> N :: 123.23(3.7) D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.33 L 0.09 F 0.07 Y 0.07 K 0.01 C Shift Assignments>> C :: 178.2(D) CA :: 52.8(D) CB :: 39.9(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 :: 8.07(D) HA :: 4.51(D) HB2 :: 2.59(D) HB3 :: 3.04(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 :: 113.0(D) Ave N Shift Values>> N :: 120.73(4.2) G36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.7(D) CA :: 47.5(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.81(D) HA2 :: 3.78(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.1(D) Ave N Shift Values>> N :: 109.91(4.29) N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.22 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 176.7(D) CA :: 53.2(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 :: 8.29(D) HA :: 4.61(D) HB2 :: 2.54(D) HB3 :: 3.33(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 :: 119.2(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.1(D) CA :: 45.6(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.38(D) HA2 :: 4.16(D) HA3 :: 3.62(D) 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(D) Ave N Shift Values>> N :: 109.91(4.29) Y39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.38 L 0.25 G 0.11 F 0.07 K 0.06 Y 0.05 D 0.03 C Shift Assignments>> C :: 175.2(D) CA :: 57.4(D) CB :: 43.7(D) 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 :: 7.70(D) HA :: 5.08(D) HB2 :: 2.56(D) 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 :: 115.2(D) Ave N Shift Values>> N :: 120.79(4.69) I40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 V 0.45 I 0.01 C Shift Assignments>> C :: 174.9(D) CA :: 62.2(D) CB :: 37.9(D) CG1 :: 17.6(S) 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 :: 9.81(D) HA :: 4.50(D) HB :: 1.76 HG2 :: 0.51 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 :: 128.0(D) Ave N Shift Values>> N :: 121.6(4.72) E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 Q 0.25 K 0.21 H 0.06 R 0.06 W 0.05 E 0.02 V 0.01 C Shift Assignments>> C :: 176.6(D) CA :: 54.6(D) CB :: 33.6(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 :: 9.00(D) HA :: 5.01(D) HB2 :: 2.09 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 :: 125.1(D) Ave N Shift Values>> N :: 120.68(3.68) G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.2(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.47(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.3(D) Ave N Shift Values>> N :: 109.91(4.29) K43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> E 0.42 M 0.19 Q 0.17 K 0.12 I 0.06 C Shift Assignments>> C :: 180.1(D) CA :: 58.4(D) CB :: 30.7(D) 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>> HA :: 4.35(D) HB2 :: 2.41(D) HB3 :: 2.69(D) HG2 :: 2.75 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) L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.73 K 0.21 G 0.02 R 0.01 C Shift Assignments>> C :: 178.4(D) CA :: 57.2(D) CB :: 42.3(D) CG :: 26.1 CD1 :: 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 :: 6.84(D) HA :: 3.92(D) HB2 :: 2.07(D) HB3 :: 1.22 HD1 :: 1.12 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 :: 119.3(D) Ave N Shift Values>> N :: 121.98(4.07) E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 E 0.4 K 0.04 M 0.02 C Shift Assignments>> C :: 178.8(D) CA :: 60.6(D) CB :: 29.8(D) CG :: 36.8 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 :: 7.58(D) HA :: 3.99(D) HB2 :: 2.12(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 :: 118.9(D) Ave N Shift Values>> N :: 120.68(3.68) N47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.32 F 0.27 D 0.11 I 0.07 N 0.07 L 0.06 E 0.04 C Shift Assignments>> C :: 177.1(D) CA :: 56.8(D) CB :: 39.0(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 :: 8.11(D) HA :: 4.50(D) HB2 :: 3.12(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 :: 116.4(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.49 F 0.24 Y 0.23 E 0.01 C Shift Assignments>> C :: 175.9(D) CA :: 61.3(D) CB :: 39.0(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 :: 8.49(D) HA :: 3.46(D) HB2 :: 2.61(D) HB3 :: 2.77(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 :: 118.4(D) Ave N Shift Values>> N :: 120.69(4.18) F49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.57 F 0.22 Y 0.18 C Shift Assignments>> C :: 177.4(D) CA :: 62.2(D) CB :: 39.5(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 :: 8.71(D) HA :: 3.27(D) HB2 :: 2.62(D) HB3 :: 2.86(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 :: 118.1(D) Ave N Shift Values>> N :: 120.69(4.18) Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.28 K 0.26 Q 0.25 I 0.12 R 0.03 M 0.03 C Shift Assignments>> C :: 179.8(D) CA :: 59.7(D) CB :: 28.9(D) CG :: 34.6 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 :: 8.18(D) HA :: 3.80(D) HB2 :: 2.08(D) HB3 :: 2.27(D) HG2 :: 2.40 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 :: 116.2(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.46 I 0.25 K 0.16 Q 0.08 M 0.02 C Shift Assignments>> C :: 179.8(D) CA :: 58.9(D) CB :: 28.8(D) 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 :: 8.10(D) HA :: 3.98(D) HB2 :: 1.86(D) HB3 :: 2.04(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 :: 118.2(D) Ave N Shift Values>> N :: 120.68(3.68) L52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 K 0.34 R 0.01 C Shift Assignments>> C :: 178.7(D) CA :: 58.5(D) CB :: 41.7(D) CG :: 26.4 CD1 :: 23.9 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 :: 8.52(D) HA :: 3.58(D) HB2 :: 1.23(D) HB3 :: 0.62 HG :: 0.61 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 :: 123.9(D) Ave N Shift Values>> N :: 121.98(4.07) E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.48 I 0.4 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.7(D) CA :: 59.7(D) CB :: 29.6(D) CG :: 36.8 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 :: 7.93(D) HA :: 3.68(D) HB2 :: 1.65(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 :: 117.5(D) Ave N Shift Values>> N :: 120.68(3.68) K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 K 0.16 M 0.12 W 0.12 Q 0.11 R 0.08 E 0.06 H 0.05 P 0.02 I 0.01 C Shift Assignments>> C :: 179.2(D) CA :: 59.6(D) CB :: 33.0(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 :: 7.54(D) HA :: 3.85(D) HB2 :: 1.69(D) HG2 :: 1.39 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 :: 117.8(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.4 L 0.05 V 0.01 C Shift Assignments>> C :: 179.8 CA :: 54.4(D) CB :: 20.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.88(D) HA :: 4.09(D) HB :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 123.23(3.7) R56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 W 0.15 E 0.15 H 0.14 M 0.11 Q 0.1 K 0.1 V 0.02 I 0.01 HN Overlap>> S63 C Shift Assignments>> C :: 180.2 CA :: 57.2(D) CB :: 30.9 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 :: 7.99(D) HA :: 4.34 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 :: 115.8(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.2 M 0.17 W 0.12 Q 0.11 R 0.11 H 0.09 E 0.08 V 0.06 C Shift Assignments>> C :: 178.2 CA :: 57.7 CB :: 32.6 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>> HA :: 4.22 HB2 :: 1.86 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) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 HN Overlap>> G7 C Shift Assignments>> C :: 175.0 CA :: 46.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.15 HA2 :: 4.01 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.4 Ave N Shift Values>> N :: 109.91(4.29) S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.6 CA :: 58.9 CB :: 64.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14 HA :: 4.48 HB2 :: 3.92 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 :: 115.2 Ave N Shift Values>> N :: 116.3(3.95) G60 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 :: 173.8 CA :: 45.9 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.43 HA2 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.8 Ave N Shift Values>> N :: 109.91(4.29) M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 R 0.1 W 0.1 K 0.09 Y 0.09 Q 0.08 F 0.08 H 0.08 M 0.07 S 0.06 L 0.05 D 0.02 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.3 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 :: 7.82 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 :: 124.5 Ave N Shift Values>> N :: 120.1(3.88) M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.16 K 0.14 R 0.13 V 0.13 E 0.12 M 0.1 H 0.09 Q 0.05 I 0.03 C Shift Assignments>> C :: 179.3 CA :: 59.1 CB :: 31.9 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>> HA :: 4.14 HB2 :: 1.98 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) S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> R56 C Shift Assignments>> C :: 175.1 CA :: 58.4 CB :: 64.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.99 HA :: 4.42 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 :: 115.7 Ave N Shift Values>> N :: 116.3(3.95) K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.11 R 0.1 Q 0.1 H 0.09 M 0.08 E 0.08 W 0.08 Y 0.07 L 0.06 F 0.06 S 0.04 D 0.03 HN Overlap>> A18 C Shift Assignments>> CA :: 56.8 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 :: 8.27 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 :: 121.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.5 CA :: 58.4 CB :: 64.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.54 HB2 :: 3.89 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) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.18 F 0.09 Y 0.07 R 0.06 N 0.06 C Shift Assignments>> C :: 176.5 CA :: 54.8 CB :: 41.5 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 :: 8.53 HA :: 4.63 HB2 :: 2.63 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 :: 122.3 Ave N Shift Values>> N :: 120.73(4.2) N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.24 Y 0.12 F 0.1 L 0.06 E 0.01 C Shift Assignments>> C :: 176.0 CA :: 53.8 CB :: 39.0 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 :: 8.37 HA :: 4.73 HB2 :: 2.82 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 :: 118.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.57 F 0.22 Y 0.18 C Shift Assignments>> C :: 177.1(D) CA :: 62.2(D) CB :: 39.6(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 :: 8.48 HA :: 4.29 HB2 :: 3.16(D) HB3 :: 3.27 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 :: 121.8 Ave N Shift Values>> N :: 120.69(4.18) G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 177.4(D) CA :: 47.5(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.62(D) HA2 :: 3.87(D) HA3 :: 3.95 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.0(D) Ave N Shift Values>> N :: 109.91(4.29) E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 E 0.16 R 0.13 H 0.11 I 0.1 Q 0.1 K 0.08 V 0.05 M 0.04 C Shift Assignments>> C :: 179.0(D) CA :: 59.3(D) CB :: 30.0(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 :: 7.90(D) HA :: 4.19(D) HB2 :: 2.08 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(D) Ave N Shift Values>> N :: 120.68(3.68) K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 R 0.13 V 0.13 K 0.13 E 0.12 M 0.11 H 0.09 Q 0.05 I 0.03 P 0.01 HN Overlap>> M72 C Shift Assignments>> C :: 179.3 CA :: 59.2 CB :: 31.8 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 :: 8.10 HA :: 4.09 HB2 :: 1.84 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 :: 119.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.16 K 0.15 R 0.14 M 0.13 E 0.12 H 0.1 V 0.08 Q 0.05 I 0.02 HN Overlap>> K71 C Shift Assignments>> C :: 178.1(D) CA :: 58.4(D) CB :: 31.9(D) 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 :: 8.20 HA :: 4.27(D) HB2 :: 1.90 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 :: 119.7 Ave N Shift Values>> N :: 120.1(3.88) K73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.61 R 0.33 G 0.02 M 0.02 C Shift Assignments>> C :: 179.8(D) CA :: 60.0(D) CB :: 32.2(D) CG :: 25.3 CD :: 29.5 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 :: 7.67(D) HA :: 3.89(D) HB2 :: 1.81(D) HG2 :: 1.48 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 :: 119.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.43 K 0.04 M 0.03 C Shift Assignments>> C :: 179.0(D) CA :: 60.0(D) CB :: 30.0(D) CG :: 36.9 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 :: 7.81(D) HA :: 3.92 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 :: 119.8(D) Ave N Shift Values>> N :: 120.68(3.68) F75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 F 0.27 Y 0.22 C Shift Assignments>> C :: 177.9(D) CA :: 61.6(D) CB :: 39.8(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 :: 8.03(D) HA :: 4.26(D) HB2 :: 3.11(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 :: 121.1(D) Ave N Shift Values>> N :: 120.69(4.18) M76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.15 W 0.15 E 0.14 M 0.11 Q 0.11 K 0.1 V 0.01 I 0.01 C Shift Assignments>> C :: 180.1(D) CA :: 56.7(D) CB :: 31.0(D) 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 :: 8.49(D) HA :: 4.39(D) HB2 :: 2.13(D) HG2 :: 2.68 HG3 :: 2.88 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 :: 117.1(D) Ave N Shift Values>> N :: 120.1(3.88) Q77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.31 E 0.19 I 0.07 R 0.07 M 0.02 C Shift Assignments>> C :: 178.4(D) CA :: 59.2(D) CB :: 28.4(D) CG :: 34.2 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 :: 8.26(D) HA :: 3.88(D) HB2 :: 1.99(D) HB3 :: 2.10(D) HG2 :: 2.33 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 :: 119.6(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> K 0.62 R 0.31 M 0.03 G 0.01 C Shift Assignments>> C :: 178.8(D) CA :: 59.0(D) CB :: 33.2(D) CG :: 25.0 CD :: 29.7 CE :: 42.2 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 :: 7.31(D) HA :: 3.79(D) HB2 :: 0.93(S) HB3 :: 1.28(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 :: 116.2(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.28 I 0.16 K 0.09 L 0.06 D 0.03 R 0.01 C Shift Assignments>> C :: 177.0(D) CA :: 59.2(D) CB :: 40.5(D) 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 :: 7.76(D) HA :: 4.68(D) HB2 :: 1.98(D) HB3 :: 2.86(D) 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 :: 112.7(D) Ave N Shift Values>> N :: 120.79(4.69) D80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.25 Y 0.09 F 0.07 L 0.05 C Shift Assignments>> C :: 178.5(D) CA :: 53.1(D) CB :: 39.1(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 :: 8.84(D) HA :: 4.82(D) HB2 :: 2.45(D) HB3 :: 3.29(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 :: 119.8(D) Ave N Shift Values>> N :: 120.73(4.2) K81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 M 0.15 Q 0.12 W 0.12 V 0.11 R 0.1 E 0.07 H 0.07 I 0.01 C Shift Assignments>> C :: 177.9(D) CA :: 58.6(D) CB :: 32.8(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 :: 3.97(D) HB2 :: 1.90(D) HG2 :: 1.58 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 :: 125.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.73 D 0.06 Y 0.05 M 0.03 E 0.03 F 0.03 C Shift Assignments>> C :: 175.1(D) CA :: 51.7(D) CB :: 37.2(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 :: 7.98(D) HA :: 4.81(D) HB2 :: 2.74(D) HB3 :: 3.22(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 :: 112.8(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.2(D) CA :: 59.6(D) CB :: 61.8(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.74(D) HA :: 3.92(D) HB2 :: 3.76(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 :: 111.5(D) Ave N Shift Values>> N :: 116.3(3.95) D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.23 L 0.17 K 0.07 F 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 178.5(D) CA :: 52.8(D) CB :: 40.9(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 :: 8.22(D) HA :: 4.61(D) HB2 :: 2.35(D) HB3 :: 2.90(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 :: 117.3(D) Ave N Shift Values>> N :: 120.73(4.2) G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.3(D) CA :: 46.2(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.61(D) HA2 :: 3.99(D) HA3 :: 3.36(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.0(D) Ave N Shift Values>> N :: 109.91(4.29) K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.79 G 0.12 A 0.07 C Shift Assignments>> C :: 175.9(D) CA :: 54.0(D) CB :: 37.0(D) CG :: 24.3 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 :: 8.08(D) HA :: 4.80(D) HB2 :: 1.57(D) HB3 :: 1.63(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 :: 117.3(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.99 C Shift Assignments>> C :: 175.9(D) CA :: 57.9(D) CB :: 38.1(D) CG1 :: 17.9(S) CD1 :: 9.50 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 :: 9.21(D) HA :: 5.45(D) HB :: 2.08(D) HG2 :: 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 :: 124.6(D) Ave N Shift Values>> N :: 121.6(4.72) E88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 E 0.28 Q 0.03 C Shift Assignments>> C :: 177.4(D) CA :: 54.2(D) CB :: 33.3(D) 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 :: 9.05(D) HA :: 5.39(D) HB2 :: 2.37(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 :: 126.1(D) Ave N Shift Values>> N :: 120.68(3.68) M89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.49 K 0.21 R 0.14 Q 0.07 I 0.03 M 0.02 E 0.01 C Shift Assignments>> C :: 178.6(D) CA :: 62.0(D) CB :: 32.2(D) CG :: 29.1 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 :: 8.87(D) HA :: 3.12(D) HB2 :: 1.40(D) HG2 :: 1.80 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 :: 126.1(D) Ave N Shift Values>> N :: 120.1(3.88) A90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 A 0.38 L 0.02 V 0.02 I 0.02 T 0.01 C Shift Assignments>> C :: 181.5(D) CA :: 55.3(D) CB :: 19.6(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.07(D) HA :: 3.97(D) HB :: 1.36(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.8(D) Ave N Shift Values>> N :: 123.23(3.7) E91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.61 I 0.2 M 0.09 K 0.06 Q 0.01 C Shift Assignments>> C :: 180.5(D) CA :: 57.9(D) CB :: 30.3(D) CG :: 37.0 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 :: 7.11(D) HA :: 4.39(D) HB2 :: 2.35 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 :: 114.3(D) Ave N Shift Values>> N :: 120.68(3.68) L92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 K 0.26 R 0.2 I 0.17 HN Overlap>> L20 C Shift Assignments>> C :: 178.8(D) CA :: 58.1(D) CB :: 41.3(D) CG :: 26.9 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 :: 8.45(D) HA :: 4.01 HB2 :: 2.25 HD1 :: 0.69 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 :: 123.2(D) Ave N Shift Values>> N :: 121.98(4.07) A93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 M 0.45 I 0.01 C Shift Assignments>> C :: 177.4(D) CA :: 54.3(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 :: 8.16(D) HA :: 3.99(D) HB :: 1.16(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 123.23(3.7) Q94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.25 E 0.25 M 0.13 R 0.02 I 0.01 C Shift Assignments>> C :: 177.0(D) CA :: 56.6(D) CB :: 29.8(D) CG :: 34.4 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 :: 7.20(D) HA :: 4.29(D) HB2 :: 2.41(D) HB3 :: 2.51(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 :: 112.5(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 I 0.3 G 0.16 M 0.11 C Shift Assignments>> C :: 176.1(D) CA :: 64.1(D) CB :: 39.9(D) CG1 :: 17.8(S) 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 :: 7.39(D) HA :: 3.32(D) HB :: 1.77 HG2 :: 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 :: 119.7(D) Ave N Shift Values>> N :: 121.6(4.72) L96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 D 0.27 R 0.13 G 0.11 N 0.06 K 0.06 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.0 CA :: 51.6(D) CB :: 42.8 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 :: 7.75(D) HA :: 4.70 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 :: 118.7(D) Ave N Shift Values>> N :: 121.98(4.07) P97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.45 V 0.37 I 0.09 W 0.03 R 0.01 C Shift Assignments>> C :: 176.8(D) CA :: 63.4(D) CB :: 31.5(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 :: 4.53(D) HB2 :: 2.04 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) T98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.3(D) CA :: 60.3(D) CB :: 71.3(D) CG2 :: 21.1 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 :: 8.09(D) HA :: 4.82(D) HB :: 3.90(D) HG2 :: 0.76 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 :: 114.6(D) Ave N Shift Values>> N :: 115.7(5.05) E99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.54 M 0.24 K 0.07 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.7(D) CA :: 56.9(D) CB :: 31.0(D) 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 :: 8.32(D) HA :: 4.18(D) HB2 :: 1.92(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 :: 122.3(D) Ave N Shift Values>> N :: 120.68(3.68) E100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.57 M 0.2 K 0.08 I 0.06 Q 0.06 C Shift Assignments>> C :: 176.2(D) CA :: 56.8(D) CB :: 30.7(D) CG :: 36.3 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 :: 8.27(D) HA :: 4.09(D) HB2 :: 1.78(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 :: 120.6(D) Ave N Shift Values>> N :: 120.68(3.68) N101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.27 Y 0.1 F 0.09 L 0.06 C Shift Assignments>> C :: 178.1(D) CA :: 53.4(D) CB :: 39.2(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 :: 8.20(D) HA :: 4.65 HB2 :: 2.61 HB3 :: 2.69 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 :: 119.3(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.26 I 0.17 K 0.12 L 0.06 R 0.02 D 0.02 C Shift Assignments>> C :: 174.2 CA :: 59.5(D) CB :: 40.8 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 :: 7.62(D) HA :: 4.29 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 :: 125.2(D) Ave N Shift Values>> N :: 120.69(4.18) L103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 30 #Clerical: 69 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 16 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 0 C Shift Results: #Consistent: 78 #Duplicate: 207 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 81 #Duplicate: 205 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 13 #Duplicate: 69 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: H16 C = 176.0(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.0506e-01 H16 CA = 56.5(D), Expected = 56.37, Std = 2.4000, ChiSquare = 9.5680e-01 H16 CB = 30.9(D), Expected = 29.95, Std = 2.1500, ChiSquare = 6.5859e-01 H16 HA = 4.37(D), Expected = 4.62, Std = 0.5100, ChiSquare = 6.2399e-01 H16 HB2 = 2.89(D), Expected = 3.12, Std = 0.4300, ChiSquare = 5.9273e-01 L17 C = 177.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.1237e-01 L17 CA = 55.3(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.7416e-01 L17 CB = 42.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6998e-01 L17 H = 7.21(D), Expected = 8.22, Std = 0.6500, ChiSquare = 1.2022e-01 L17 HA = 3.99(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 L17 N = 122.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.5689e-01 A18 C = 177.8(D), Expected = 177.80, Std = 2.1800, ChiSquare = 1.0000e+00 A18 CA = 53.8(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.5604e-01 A18 CB = 19.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.0515e-01 A18 H = 8.35(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0259e-01 A18 HA = 4.12(D), Expected = 4.26, Std = 0.4200, ChiSquare = 7.3888e-01 A18 HB = 1.38(D), Expected = 1.38, Std = 0.2500, ChiSquare = 1.0000e+00 A18 N = 121.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.1925e-01 E19 C = 174.9(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.3601e-01 E19 CA = 55.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.8764e-01 E19 CB = 33.0(D), Expected = 30.07, Std = 1.8400, ChiSquare = 1.1130e-01 E19 H = 7.47(D), Expected = 8.34, Std = 0.6100, ChiSquare = 1.5380e-01 E19 HA = 4.38(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.8019e-01 E19 HB2 = 2.23(D), Expected = 2.04, Std = 0.2200, ChiSquare = 3.8779e-01 E19 N = 114.0(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.9491e-02 L20 C = 178.5(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.6413e-01 L20 CA = 54.6(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.3471e-01 L20 CB = 45.1(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.4217e-01 L20 H = 8.48(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.8916e-01 L20 HA = 4.80(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.0712e-01 L20 N = 123.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.4569e-01 T21 C = 176.0(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.3670e-01 T21 CA = 60.9(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.4583e-01 T21 CB = 71.1(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.9044e-01 T21 H = 8.53(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.7496e-01 T21 HA = 4.40(D), Expected = 4.48, Std = 0.5000, ChiSquare = 8.7288e-01 T21 HB = 4.62(D), Expected = 4.17, Std = 0.3700, ChiSquare = 2.2390e-01 T21 N = 112.4(D), Expected = 115.70, Std = 5.0500, ChiSquare = 5.1346e-01 A22 C = 180.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.3300e-01 A22 CA = 56.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.2744e-01 A22 CB = 18.3(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.4569e-01 A22 H = 9.21(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2311e-02 A22 HA = 4.02(D), Expected = 4.26, Std = 0.4200, ChiSquare = 5.6771e-01 A22 HB = 1.39(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.6809e-01 A22 N = 123.7(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.9892e-01 S23 C = 177.9(D), Expected = 174.53, Std = 1.7300, ChiSquare = 5.1418e-02 S23 CA = 61.9(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.1624e-01 S23 H = 8.36(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.1011e-01 S23 HA = 4.19(D), Expected = 4.51, Std = 0.4300, ChiSquare = 4.5676e-01 S23 HB2 = 3.80(D), Expected = 3.88, Std = 0.2900, ChiSquare = 7.8265e-01 S23 N = 111.3(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.0558e-01 Q24 C = 178.7(D), Expected = 176.39, Std = 1.9600, ChiSquare = 2.3857e-01 Q24 CA = 59.0(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.7714e-01 Q24 CB = 29.1(D), Expected = 29.10, Std = 1.9700, ChiSquare = 1.0000e+00 Q24 H = 7.55(D), Expected = 8.22, Std = 0.6200, ChiSquare = 2.7985e-01 Q24 HA = 3.77(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.4642e-01 Q24 HB2 = 2.12(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.0259e-01 Q24 N = 122.3(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.5284e-01 F25 C = 177.0(D), Expected = 175.49, Std = 2.1300, ChiSquare = 4.7837e-01 F25 CA = 62.5(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.1952e-01 F25 CB = 39.6(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.6378e-01 F25 H = 8.65(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.5594e-01 F25 HA = 3.89(D), Expected = 4.62, Std = 0.5800, ChiSquare = 2.0817e-01 F25 HB2 = 2.94(D), Expected = 2.99, Std = 0.3700, ChiSquare = 8.9251e-01 F25 HB3 = 3.23(D), Expected = 2.97, Std = 0.3800, ChiSquare = 4.9384e-01 F25 N = 119.2(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.2150e-01 L26 C = 179.4(D), Expected = 176.97, Std = 2.0900, ChiSquare = 2.4496e-01 L26 CA = 58.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.4856e-01 L26 CB = 41.8(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.5926e-01 L26 H = 8.25(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.6319e-01 L26 HA = 3.99(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.8260e-01 L26 HB2 = 1.69(D), Expected = 1.63, Std = 0.3400, ChiSquare = 8.5992e-01 L26 HB3 = 1.86(D), Expected = 1.57, Std = 0.3600, ChiSquare = 4.2050e-01 L26 N = 118.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.2030e-01 E27 C = 180.5(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.0657e-02 E27 CA = 60.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.8849e-01 E27 CB = 29.9(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.2639e-01 E27 H = 7.91(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.8086e-01 E27 HA = 3.99(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.3006e-01 E27 HB2 = 2.15(D), Expected = 2.04, Std = 0.2200, ChiSquare = 6.1707e-01 E27 N = 118.1(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.8325e-01 I28 C = 177.7(D), Expected = 175.82, Std = 1.9500, ChiSquare = 3.3499e-01 I28 CA = 65.3(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.8203e-01 I28 H = 8.00(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.1422e-01 I28 HA = 3.66(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.3490e-01 I28 N = 120.7(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.4878e-01 W29 C = 176.7(D), Expected = 176.10, Std = 1.8900, ChiSquare = 7.5089e-01 W29 CA = 61.3(D), Expected = 57.71, Std = 2.6500, ChiSquare = 1.7551e-01 W29 CB = 29.0(D), Expected = 30.16, Std = 2.1900, ChiSquare = 5.9633e-01 W29 H = 8.48(D), Expected = 8.35, Std = 0.8400, ChiSquare = 8.7701e-01 W29 HA = 3.72(D), Expected = 4.74, Std = 0.5500, ChiSquare = 6.3661e-02 W29 N = 120.7(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.9837e-01 K30 C = 178.4(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.4397e-01 K30 CA = 58.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.5990e-01 K30 CB = 32.8(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.8727e-01 K30 H = 8.35(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.3904e-01 K30 HA = 3.66(D), Expected = 4.28, Std = 0.4500, ChiSquare = 1.6827e-01 K30 HB2 = 1.81(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.3624e-01 K30 N = 113.6(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.5854e-02 H31 C = 176.9(D), Expected = 175.19, Std = 2.1400, ChiSquare = 4.2425e-01 H31 CA = 59.7(D), Expected = 56.37, Std = 2.4000, ChiSquare = 1.6529e-01 H31 CB = 30.7(D), Expected = 29.95, Std = 2.1500, ChiSquare = 7.2721e-01 H31 H = 7.59(D), Expected = 8.25, Std = 0.7400, ChiSquare = 3.7245e-01 H31 HA = 3.88(D), Expected = 4.62, Std = 0.5100, ChiSquare = 1.4679e-01 H31 HB2 = 2.85(D), Expected = 3.12, Std = 0.4300, ChiSquare = 5.3006e-01 H31 N = 115.6(D), Expected = 119.44, Std = 4.5200, ChiSquare = 3.9557e-01 F32 C = 178.1(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.2044e-01 F32 CA = 61.9(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.8122e-01 F32 CB = 40.1(D), Expected = 39.95, Std = 2.0400, ChiSquare = 9.4139e-01 F32 H = 7.56(D), Expected = 8.42, Std = 0.7400, ChiSquare = 2.4517e-01 F32 HA = 4.19(D), Expected = 4.62, Std = 0.5800, ChiSquare = 4.5846e-01 F32 HB2 = 2.34(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.8959e-02 F32 HB3 = 2.81(D), Expected = 2.97, Std = 0.3800, ChiSquare = 6.7372e-01 F32 N = 112.1(D), Expected = 120.69, Std = 4.1800, ChiSquare = 3.9877e-02 D33 C = 178.1(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.3968e-01 D33 CA = 52.7(D), Expected = 54.52, Std = 2.1000, ChiSquare = 3.8612e-01 D33 CB = 36.3(D), Expected = 40.70, Std = 1.6700, ChiSquare = 8.4204e-03 D33 H = 8.13(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.2568e-01 D33 HA = 4.49(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.9868e-01 D33 HB2 = 1.79(D), Expected = 2.74, Std = 0.2900, ChiSquare = 1.0534e-03 D33 HB3 = 0.77(S), Expected = 2.70, Std = 0.2900, ChiSquare = 2.8297e-11 D33 N = 120.2(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.9958e-01 A34 C = 179.2(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.2074e-01 A34 CA = 55.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9888e-01 A34 CB = 19.3(D), Expected = 18.90, Std = 1.8500, ChiSquare = 8.2882e-01 A34 H = 7.27(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2114e-01 A34 HA = 3.73(D), Expected = 4.26, Std = 0.4200, ChiSquare = 2.0698e-01 A34 HB = 1.36(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.3624e-01 A34 N = 126.3(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.0669e-01 D35 C = 178.2(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.1187e-01 D35 CA = 52.8(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.1276e-01 D35 CB = 39.9(D), Expected = 40.70, Std = 1.6700, ChiSquare = 6.3191e-01 D35 H = 8.07(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.4829e-01 D35 HA = 4.51(D), Expected = 4.61, Std = 0.3100, ChiSquare = 7.4701e-01 D35 HB2 = 2.59(D), Expected = 2.74, Std = 0.2900, ChiSquare = 6.0499e-01 D35 HB3 = 3.04(D), Expected = 2.70, Std = 0.2900, ChiSquare = 2.4103e-01 D35 N = 113.0(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.5699e-02 G36 C = 175.7(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.9218e-01 G36 CA = 47.5(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.2647e-01 G36 H = 7.81(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.7386e-01 G36 HA2 = 3.78(D), Expected = 3.95, Std = 0.4000, ChiSquare = 6.7084e-01 G36 N = 109.1(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.5024e-01 N37 C = 176.7(D), Expected = 175.16, Std = 1.7600, ChiSquare = 3.8157e-01 N37 CA = 53.2(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.0563e-01 N37 CB = 38.8(D), Expected = 38.66, Std = 1.7800, ChiSquare = 9.3731e-01 N37 H = 8.29(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.0205e-01 N37 HA = 4.61(D), Expected = 4.70, Std = 0.3900, ChiSquare = 8.1749e-01 N37 HB2 = 2.54(D), Expected = 2.80, Std = 0.3400, ChiSquare = 4.4445e-01 N37 HB3 = 3.33(D), Expected = 2.78, Std = 0.3400, ChiSquare = 1.0574e-01 N37 N = 119.2(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.8736e-01 G38 C = 173.1(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.2801e-01 G38 CA = 45.6(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.4920e-01 G38 H = 10.38(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.8378e-03 G38 HA2 = 4.16(D), Expected = 3.95, Std = 0.4000, ChiSquare = 5.9958e-01 G38 HA3 = 3.62(D), Expected = 3.93, Std = 0.4000, ChiSquare = 4.3834e-01 G38 N = 111.9(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.4274e-01 Y39 C = 175.2(D), Expected = 175.39, Std = 1.8900, ChiSquare = 9.1992e-01 Y39 CA = 57.4(D), Expected = 58.02, Std = 2.6400, ChiSquare = 8.1433e-01 Y39 CB = 43.7(D), Expected = 39.16, Std = 2.2300, ChiSquare = 4.1763e-02 Y39 H = 7.70(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.7168e-01 Y39 HA = 5.08(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.2164e-01 Y39 HB2 = 2.56(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.4418e-01 Y39 N = 115.2(D), Expected = 120.79, Std = 4.6900, ChiSquare = 2.3330e-01 I40 C = 174.9(D), Expected = 175.82, Std = 1.9500, ChiSquare = 6.3707e-01 I40 CA = 62.2(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.2632e-01 I40 CB = 37.9(D), Expected = 38.58, Std = 2.0900, ChiSquare = 7.4491e-01 I40 CG1 = 17.6(S), Expected = 27.65, Std = 2.3200, ChiSquare = 1.4783e-05 I40 H = 9.81(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.9029e-02 I40 HA = 4.50(D), Expected = 4.20, Std = 0.5600, ChiSquare = 5.9216e-01 I40 N = 128.0(D), Expected = 121.60, Std = 4.7200, ChiSquare = 1.7512e-01 E41 C = 176.6(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.7572e-01 E41 CA = 54.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.9786e-01 E41 CB = 33.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 5.5050e-02 E41 H = 9.00(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.7927e-01 E41 HA = 5.01(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.1127e-02 E41 N = 125.1(D), Expected = 120.68, Std = 3.6800, ChiSquare = 2.2972e-01 G42 CA = 47.2(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.8787e-01 G42 H = 9.47(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.2675e-01 G42 N = 112.3(D), Expected = 109.91, Std = 4.2900, ChiSquare = 5.7745e-01 E44 C = 180.1(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.3300e-01 E44 CA = 58.4(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.5452e-01 E44 CB = 30.7(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.3206e-01 E44 HA = 4.35(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.3421e-01 E44 HB2 = 2.41(D), Expected = 2.04, Std = 0.2200, ChiSquare = 9.2604e-02 E44 HB3 = 2.69(D), Expected = 2.04, Std = 0.2300, ChiSquare = 4.7120e-03 L45 C = 178.4(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.9384e-01 L45 CA = 57.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.8308e-01 L45 CB = 42.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 9.6998e-01 L45 H = 6.84(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.3747e-02 L45 HA = 3.92(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.9473e-01 L45 HB2 = 2.07(D), Expected = 1.63, Std = 0.3400, ChiSquare = 1.9562e-01 L45 N = 119.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.1023e-01 E46 C = 178.8(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.7548e-01 E46 CA = 60.6(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.4649e-01 E46 CB = 29.8(D), Expected = 30.07, Std = 1.8400, ChiSquare = 8.8334e-01 E46 H = 7.58(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.1280e-01 E46 HA = 3.99(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.3006e-01 E46 HB2 = 2.12(D), Expected = 2.04, Std = 0.2200, ChiSquare = 7.1613e-01 E46 N = 118.9(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.2860e-01 N47 C = 177.1(D), Expected = 175.16, Std = 1.7600, ChiSquare = 2.7034e-01 N47 CA = 56.8(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.2367e-02 N47 CB = 39.0(D), Expected = 38.66, Std = 1.7800, ChiSquare = 8.4852e-01 N47 H = 8.11(D), Expected = 8.37, Std = 0.6500, ChiSquare = 6.8916e-01 N47 HA = 4.50(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.0808e-01 N47 HB2 = 3.12(D), Expected = 2.80, Std = 0.3400, ChiSquare = 3.4661e-01 N47 N = 116.4(D), Expected = 119.13, Std = 4.4200, ChiSquare = 5.3681e-01 F48 C = 175.9(D), Expected = 175.49, Std = 2.1300, ChiSquare = 8.4736e-01 F48 CA = 61.3(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.6390e-01 F48 CB = 39.0(D), Expected = 39.95, Std = 2.0400, ChiSquare = 6.4144e-01 F48 H = 8.49(D), Expected = 8.42, Std = 0.7400, ChiSquare = 9.2464e-01 F48 HA = 3.46(D), Expected = 4.62, Std = 0.5800, ChiSquare = 4.5500e-02 F48 HB2 = 2.61(D), Expected = 2.99, Std = 0.3700, ChiSquare = 3.0441e-01 F48 HB3 = 2.77(D), Expected = 2.97, Std = 0.3800, ChiSquare = 5.9867e-01 F48 N = 118.4(D), Expected = 120.69, Std = 4.1800, ChiSquare = 5.8380e-01 F49 C = 177.4(D), Expected = 175.49, Std = 2.1300, ChiSquare = 3.6987e-01 F49 CA = 62.2(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.4793e-01 F49 CB = 39.5(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.2541e-01 F49 H = 8.71(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.9514e-01 F49 HA = 3.27(D), Expected = 4.62, Std = 0.5800, ChiSquare = 1.9934e-02 F49 HB2 = 2.62(D), Expected = 2.99, Std = 0.3700, ChiSquare = 3.1731e-01 F49 HB3 = 2.86(D), Expected = 2.97, Std = 0.3800, ChiSquare = 7.7222e-01 F49 N = 118.1(D), Expected = 120.69, Std = 4.1800, ChiSquare = 5.3551e-01 Q50 C = 179.8(D), Expected = 176.39, Std = 1.9600, ChiSquare = 8.1895e-02 Q50 CA = 59.7(D), Expected = 56.62, Std = 2.1900, ChiSquare = 1.5961e-01 Q50 CB = 28.9(D), Expected = 29.10, Std = 1.9700, ChiSquare = 9.1914e-01 Q50 H = 8.18(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.4856e-01 Q50 HA = 3.80(D), Expected = 4.28, Std = 0.4400, ChiSquare = 2.7531e-01 Q50 HB2 = 2.08(D), Expected = 2.05, Std = 0.2800, ChiSquare = 9.1468e-01 Q50 HB3 = 2.27(D), Expected = 2.04, Std = 0.2900, ChiSquare = 4.2772e-01 Q50 N = 116.2(D), Expected = 119.92, Std = 4.0100, ChiSquare = 3.5357e-01 E51 C = 179.8(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.7377e-01 E51 CA = 58.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.9917e-01 E51 CB = 28.8(D), Expected = 30.07, Std = 1.8400, ChiSquare = 4.9006e-01 E51 H = 8.10(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.9399e-01 E51 HA = 3.98(D), Expected = 4.26, Std = 0.4300, ChiSquare = 5.1494e-01 E51 HB2 = 1.86(D), Expected = 2.04, Std = 0.2200, ChiSquare = 4.1325e-01 E51 HB3 = 2.04(D), Expected = 2.04, Std = 0.2300, ChiSquare = 1.0000e+00 E51 N = 118.2(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.0037e-01 L52 C = 178.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.0781e-01 L52 CA = 58.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.9719e-01 L52 CB = 41.7(D), Expected = 42.37, Std = 1.8600, ChiSquare = 7.1869e-01 L52 H = 8.52(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.4441e-01 L52 HA = 3.58(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.1538e-01 L52 HB2 = 1.23(D), Expected = 1.63, Std = 0.3400, ChiSquare = 2.3941e-01 L52 N = 123.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.3711e-01 E53 C = 179.7(D), Expected = 176.93, Std = 2.1100, ChiSquare = 1.8925e-01 E53 CA = 59.7(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.9783e-01 E53 CB = 29.6(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9839e-01 E53 H = 7.93(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.0150e-01 E53 HA = 3.68(D), Expected = 4.26, Std = 0.4300, ChiSquare = 1.7739e-01 E53 HB2 = 1.65(D), Expected = 2.04, Std = 0.2200, ChiSquare = 7.6274e-02 E53 N = 117.5(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.8752e-01 K54 C = 179.2(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.8136e-01 K54 CA = 59.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.1995e-01 K54 CB = 33.0(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.2795e-01 K54 H = 7.54(D), Expected = 8.22, Std = 0.6400, ChiSquare = 2.8801e-01 K54 HA = 3.85(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.3930e-01 K54 HB2 = 1.69(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.8916e-01 K54 N = 117.8(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.1363e-01 A55 CA = 54.4(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.4721e-01 A55 CB = 20.1(D), Expected = 18.90, Std = 1.8500, ChiSquare = 5.1657e-01 A55 H = 7.88(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9380e-01 A55 HA = 4.09(D), Expected = 4.26, Std = 0.4200, ChiSquare = 6.8565e-01 A55 N = 120.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.9758e-01 R56 CA = 57.2(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.1738e-01 R56 H = 7.99(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.7692e-01 R56 N = 115.8(D), Expected = 120.61, Std = 3.9000, ChiSquare = 2.1745e-01 F68 C = 177.1(D), Expected = 175.49, Std = 2.1300, ChiSquare = 4.4973e-01 F68 CA = 62.2(D), Expected = 58.25, Std = 2.7300, ChiSquare = 1.4793e-01 F68 CB = 39.6(D), Expected = 39.95, Std = 2.0400, ChiSquare = 8.6378e-01 F68 HB2 = 3.16(D), Expected = 2.99, Std = 0.3700, ChiSquare = 6.4590e-01 G69 C = 177.4(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.3281e-02 G69 CA = 47.5(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.2647e-01 G69 H = 8.62(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.0515e-01 G69 HA2 = 3.87(D), Expected = 3.95, Std = 0.4000, ChiSquare = 8.4148e-01 G69 N = 106.0(D), Expected = 109.91, Std = 4.2900, ChiSquare = 3.6207e-01 E70 C = 179.0(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.2657e-01 E70 CA = 59.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 3.9065e-01 E70 CB = 30.0(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.6965e-01 E70 H = 7.90(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.7072e-01 E70 HA = 4.19(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.7068e-01 E70 N = 121.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.8165e-01 M72 C = 178.1(D), Expected = 176.30, Std = 2.1300, ChiSquare = 3.9807e-01 M72 CA = 58.4(D), Expected = 56.16, Std = 2.3400, ChiSquare = 3.3843e-01 M72 CB = 31.9(D), Expected = 32.90, Std = 2.2300, ChiSquare = 6.5384e-01 M72 HA = 4.27(D), Expected = 4.39, Std = 0.4600, ChiSquare = 7.9419e-01 K73 C = 179.8(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.0326e-01 K73 CA = 60.0(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.6019e-01 K73 CB = 32.2(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.3754e-01 K73 H = 7.67(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.9013e-01 K73 HA = 3.89(D), Expected = 4.28, Std = 0.4500, ChiSquare = 3.8612e-01 K73 HB2 = 1.81(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.3624e-01 K73 N = 119.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.6849e-01 E74 C = 179.0(D), Expected = 176.93, Std = 2.1100, ChiSquare = 3.2657e-01 E74 CA = 60.0(D), Expected = 57.42, Std = 2.1900, ChiSquare = 2.3876e-01 E74 CB = 30.0(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.6965e-01 E74 H = 7.81(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.8493e-01 E74 N = 119.8(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.1100e-01 F75 C = 177.9(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.5786e-01 F75 CA = 61.6(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.1978e-01 F75 CB = 39.8(D), Expected = 39.95, Std = 2.0400, ChiSquare = 9.4139e-01 F75 H = 8.03(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.9817e-01 F75 HA = 4.26(D), Expected = 4.62, Std = 0.5800, ChiSquare = 5.3480e-01 F75 HB2 = 3.11(D), Expected = 2.99, Std = 0.3700, ChiSquare = 7.4569e-01 F75 N = 121.1(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.2186e-01 M76 C = 180.1(D), Expected = 176.30, Std = 2.1300, ChiSquare = 7.4418e-02 M76 CA = 56.7(D), Expected = 56.16, Std = 2.3400, ChiSquare = 8.1749e-01 M76 CB = 31.0(D), Expected = 32.90, Std = 2.2300, ChiSquare = 3.9420e-01 M76 H = 8.49(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.0147e-01 M76 HA = 4.39(D), Expected = 4.39, Std = 0.4600, ChiSquare = 1.0000e+00 M76 HB2 = 2.13(D), Expected = 2.03, Std = 0.3800, ChiSquare = 7.9243e-01 M76 N = 117.1(D), Expected = 120.10, Std = 3.8800, ChiSquare = 4.3941e-01 Q77 C = 178.4(D), Expected = 176.39, Std = 1.9600, ChiSquare = 3.0512e-01 Q77 CA = 59.2(D), Expected = 56.62, Std = 2.1900, ChiSquare = 2.3876e-01 Q77 CB = 28.4(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.2234e-01 Q77 H = 8.26(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.4856e-01 Q77 HA = 3.88(D), Expected = 4.28, Std = 0.4400, ChiSquare = 3.6330e-01 Q77 HB2 = 1.99(D), Expected = 2.05, Std = 0.2800, ChiSquare = 8.3032e-01 Q77 HB3 = 2.10(D), Expected = 2.04, Std = 0.2900, ChiSquare = 8.3609e-01 Q77 N = 119.6(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.3640e-01 K78 C = 178.8(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.5368e-01 K78 CA = 59.0(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.3706e-01 K78 CB = 33.2(D), Expected = 32.83, Std = 1.8800, ChiSquare = 8.4398e-01 K78 H = 7.31(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.5506e-01 K78 HA = 3.79(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.7620e-01 K78 HB2 = 0.93(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.8171e-04 K78 HB3 = 1.28(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.4470e-02 K78 N = 116.2(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.2750e-01 Y79 C = 177.0(D), Expected = 175.39, Std = 1.8900, ChiSquare = 3.9430e-01 Y79 CA = 59.2(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.5490e-01 Y79 CB = 40.5(D), Expected = 39.16, Std = 2.2300, ChiSquare = 5.4791e-01 Y79 H = 7.76(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.1603e-01 Y79 HA = 4.68(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.2886e-01 Y79 HB2 = 1.98(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.1954e-02 Y79 HB3 = 2.86(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.9251e-01 Y79 N = 112.7(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.4537e-02 D80 C = 178.5(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.3769e-01 D80 CA = 53.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.9892e-01 D80 CB = 39.1(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.3802e-01 D80 H = 8.84(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.7093e-01 D80 HA = 4.82(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.9814e-01 D80 HB2 = 2.45(D), Expected = 2.74, Std = 0.2900, ChiSquare = 3.1731e-01 D80 HB3 = 3.29(D), Expected = 2.70, Std = 0.2900, ChiSquare = 4.1903e-02 D80 N = 119.8(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.2476e-01 K81 C = 177.9(D), Expected = 176.46, Std = 2.0500, ChiSquare = 4.8241e-01 K81 CA = 58.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.3408e-01 K81 CB = 32.8(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.8727e-01 K81 H = 7.71(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.2552e-01 K81 HA = 3.97(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.9089e-01 K81 HB2 = 1.90(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.5994e-01 K81 N = 125.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.0225e-01 N82 C = 175.1(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.7280e-01 N82 CA = 51.7(D), Expected = 53.43, Std = 1.9400, ChiSquare = 3.7253e-01 N82 CB = 37.2(D), Expected = 38.66, Std = 1.7800, ChiSquare = 4.1209e-01 N82 H = 7.98(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.4851e-01 N82 HA = 4.81(D), Expected = 4.70, Std = 0.3900, ChiSquare = 7.7790e-01 N82 HB2 = 2.74(D), Expected = 2.80, Std = 0.3400, ChiSquare = 8.5992e-01 N82 HB3 = 3.22(D), Expected = 2.78, Std = 0.3400, ChiSquare = 1.9562e-01 N82 N = 112.8(D), Expected = 119.13, Std = 4.4200, ChiSquare = 1.5211e-01 S83 C = 174.2(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.4872e-01 S83 CA = 59.6(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.2707e-01 S83 CB = 61.8(D), Expected = 63.80, Std = 1.5700, ChiSquare = 2.0270e-01 S83 H = 7.74(D), Expected = 8.29, Std = 0.6200, ChiSquare = 3.7503e-01 S83 HA = 3.92(D), Expected = 4.51, Std = 0.4300, ChiSquare = 1.7003e-01 S83 HB2 = 3.76(D), Expected = 3.88, Std = 0.2900, ChiSquare = 6.7903e-01 S83 N = 111.5(D), Expected = 116.30, Std = 3.9500, ChiSquare = 2.2429e-01 D84 C = 178.5(D), Expected = 176.41, Std = 1.7700, ChiSquare = 2.3769e-01 D84 CA = 52.8(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.1276e-01 D84 CB = 40.9(D), Expected = 40.70, Std = 1.6700, ChiSquare = 9.0467e-01 D84 H = 8.22(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.4697e-01 D84 HA = 4.61(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.0000e+00 D84 HB2 = 2.35(D), Expected = 2.74, Std = 0.2900, ChiSquare = 1.7868e-01 D84 HB3 = 2.90(D), Expected = 2.70, Std = 0.2900, ChiSquare = 4.9041e-01 D84 N = 117.3(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.1412e-01 G85 C = 173.3(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.0287e-01 G85 CA = 46.2(D), Expected = 45.33, Std = 1.4200, ChiSquare = 5.4009e-01 G85 H = 10.61(D), Expected = 8.34, Std = 0.7400, ChiSquare = 2.1581e-03 G85 HA2 = 3.99(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.2034e-01 G85 HA3 = 3.36(D), Expected = 3.93, Std = 0.4000, ChiSquare = 1.5416e-01 G85 N = 113.0(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.7135e-01 K86 C = 175.9(D), Expected = 176.46, Std = 2.0500, ChiSquare = 7.8472e-01 K86 CA = 54.0(D), Expected = 56.84, Std = 2.2500, ChiSquare = 2.0687e-01 K86 CB = 37.0(D), Expected = 32.83, Std = 1.8800, ChiSquare = 2.6549e-02 K86 H = 8.08(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.2684e-01 K86 HA = 4.80(D), Expected = 4.28, Std = 0.4500, ChiSquare = 2.4786e-01 K86 HB2 = 1.57(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.7886e-01 K86 HB3 = 1.63(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.6399e-01 K86 N = 117.3(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.4764e-01 I87 C = 175.9(D), Expected = 175.82, Std = 1.9500, ChiSquare = 9.6728e-01 I87 CA = 57.9(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.8440e-01 I87 CB = 38.1(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.1835e-01 I87 CG1 = 17.9(S), Expected = 27.65, Std = 2.3200, ChiSquare = 2.6388e-05 I87 H = 9.21(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.8089e-01 I87 HA = 5.45(D), Expected = 4.20, Std = 0.5600, ChiSquare = 2.5606e-02 I87 HB = 2.08(D), Expected = 1.80, Std = 0.3100, ChiSquare = 3.6641e-01 I87 N = 124.6(D), Expected = 121.60, Std = 4.7200, ChiSquare = 5.2504e-01 E88 C = 177.4(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.2373e-01 E88 CA = 54.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 1.4147e-01 E88 CB = 33.3(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9185e-02 E88 H = 9.05(D), Expected = 8.34, Std = 0.6100, ChiSquare = 2.4445e-01 E88 HA = 5.39(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.5912e-03 E88 HB2 = 2.37(D), Expected = 2.04, Std = 0.2200, ChiSquare = 1.3361e-01 E88 N = 126.1(D), Expected = 120.68, Std = 3.6800, ChiSquare = 1.4080e-01 M89 C = 178.6(D), Expected = 176.30, Std = 2.1300, ChiSquare = 2.8023e-01 M89 CA = 62.0(D), Expected = 56.16, Std = 2.3400, ChiSquare = 1.2570e-02 M89 CB = 32.2(D), Expected = 32.90, Std = 2.2300, ChiSquare = 7.5360e-01 M89 H = 8.87(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.0931e-01 M89 HA = 3.12(D), Expected = 4.39, Std = 0.4600, ChiSquare = 5.7648e-03 M89 HB2 = 1.40(D), Expected = 2.03, Std = 0.3800, ChiSquare = 9.7339e-02 M89 N = 126.1(D), Expected = 120.10, Std = 3.8800, ChiSquare = 1.2201e-01 A90 C = 181.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.9650e-02 A90 CA = 55.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 2.9888e-01 A90 CB = 19.6(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.0515e-01 A90 H = 9.07(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4706e-01 A90 HA = 3.97(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.8989e-01 A90 HB = 1.36(D), Expected = 1.38, Std = 0.2500, ChiSquare = 9.3624e-01 A90 N = 117.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.4222e-01 E91 C = 180.5(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.0657e-02 E91 CA = 57.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.2651e-01 E91 CB = 30.3(D), Expected = 30.07, Std = 1.8400, ChiSquare = 9.0052e-01 E91 H = 7.11(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.3759e-02 E91 HA = 4.39(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.6240e-01 E91 N = 114.3(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.2972e-02 L92 C = 178.8(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.8125e-01 L92 CA = 58.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 2.6760e-01 L92 CB = 41.3(D), Expected = 42.37, Std = 1.8600, ChiSquare = 5.6511e-01 L92 H = 8.45(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.2345e-01 L92 N = 123.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.6436e-01 A93 C = 177.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.5442e-01 A93 CA = 54.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.7999e-01 A93 CB = 18.2(D), Expected = 18.90, Std = 1.8500, ChiSquare = 7.0515e-01 A93 H = 8.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 A93 HA = 3.99(D), Expected = 4.26, Std = 0.4200, ChiSquare = 5.2032e-01 A93 HB = 1.16(D), Expected = 1.38, Std = 0.2500, ChiSquare = 3.7886e-01 A93 N = 118.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.4189e-01 Q94 C = 177.0(D), Expected = 176.39, Std = 1.9600, ChiSquare = 7.5563e-01 Q94 CA = 56.6(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.9271e-01 Q94 CB = 29.8(D), Expected = 29.10, Std = 1.9700, ChiSquare = 7.2234e-01 Q94 H = 7.20(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.9937e-02 Q94 HA = 4.29(D), Expected = 4.28, Std = 0.4400, ChiSquare = 9.8187e-01 Q94 HB2 = 2.41(D), Expected = 2.05, Std = 0.2800, ChiSquare = 1.9854e-01 Q94 HB3 = 2.51(D), Expected = 2.04, Std = 0.2900, ChiSquare = 1.0508e-01 Q94 N = 112.5(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.4260e-02 I95 C = 176.1(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.8582e-01 I95 CA = 64.1(D), Expected = 61.59, Std = 2.7800, ChiSquare = 3.6659e-01 I95 CB = 39.9(D), Expected = 38.58, Std = 2.0900, ChiSquare = 5.2766e-01 I95 CG1 = 17.8(S), Expected = 27.65, Std = 2.3200, ChiSquare = 2.1792e-05 I95 H = 7.39(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.2044e-01 I95 HA = 3.32(D), Expected = 4.20, Std = 0.5600, ChiSquare = 1.1608e-01 I95 N = 119.7(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.8728e-01 L96 CA = 51.6(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.6865e-02 L96 H = 7.75(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.6963e-01 L96 N = 118.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.2030e-01 P97 C = 176.8(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.5282e-01 P97 CA = 63.4(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.5138e-01 P97 CB = 31.5(D), Expected = 31.81, Std = 1.5400, ChiSquare = 8.4047e-01 P97 HA = 4.53(D), Expected = 4.41, Std = 0.3600, ChiSquare = 7.3888e-01 T98 C = 175.3(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.9736e-01 T98 CA = 60.3(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.9641e-01 T98 CB = 71.3(D), Expected = 69.64, Std = 1.7000, ChiSquare = 3.2883e-01 T98 H = 8.09(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.7157e-01 T98 HA = 4.82(D), Expected = 4.48, Std = 0.5000, ChiSquare = 4.9650e-01 T98 HB = 3.90(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.6556e-01 T98 N = 114.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.2757e-01 E99 C = 176.7(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.1320e-01 E99 CA = 56.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.1231e-01 E99 CB = 31.0(D), Expected = 30.07, Std = 1.8400, ChiSquare = 6.1325e-01 E99 H = 8.32(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.7384e-01 E99 HA = 4.18(D), Expected = 4.26, Std = 0.4300, ChiSquare = 8.5241e-01 E99 HB2 = 1.92(D), Expected = 2.04, Std = 0.2200, ChiSquare = 5.8544e-01 E99 N = 122.3(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.5978e-01 E100 C = 176.2(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.2936e-01 E100 CA = 56.8(D), Expected = 57.42, Std = 2.1900, ChiSquare = 7.7710e-01 E100 CB = 30.7(D), Expected = 30.07, Std = 1.8400, ChiSquare = 7.3206e-01 E100 H = 8.27(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.0864e-01 E100 HA = 4.09(D), Expected = 4.26, Std = 0.4300, ChiSquare = 6.9259e-01 E100 HB2 = 1.78(D), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3728e-01 E100 N = 120.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.8266e-01 N101 C = 178.1(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.4829e-02 N101 CA = 53.4(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.8766e-01 N101 CB = 39.2(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.6161e-01 N101 H = 8.20(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.9368e-01 N101 N = 119.3(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.6932e-01 F102 CA = 59.5(D), Expected = 58.25, Std = 2.7300, ChiSquare = 6.4704e-01 F102 H = 7.62(D), Expected = 8.42, Std = 0.7400, ChiSquare = 2.7966e-01 F102 N = 125.2(D), Expected = 120.69, Std = 4.1800, ChiSquare = 2.8061e-01