L1 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.1 M 0.1 K 0.09 R 0.09 L 0.08 E 0.07 W 0.07 Y 0.06 F 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 1.771(M) CA :: 56.4(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.24(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 121.98(4.07) SRO Rule Breaks>> (C > CA : 1.0000) L2 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.1 H 0.09 N 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 W 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 1.776(M) CA :: 54.9(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.71(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 :: 117.7(D) Ave N Shift Values>> N :: 121.98(4.07) SRO Rule Breaks>> (C > CA : 1.0000) G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 174.9(D) CA :: 45.3(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.95(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.9(D) Ave N Shift Values>> N :: 109.91(4.29) R4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 M 0.11 Q 0.1 K 0.09 R 0.09 L 0.09 E 0.07 W 0.07 Y 0.06 F 0.05 D 0.04 S 0.03 N 0.01 A 0.01 HN Overlap>> M81 R144 C Shift Assignments>> C :: 176.7(D) CA :: 56.3(D) 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 :: 7.82(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.6(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) H5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.11 M 0.1 H 0.09 Q 0.08 R 0.07 K 0.07 N 0.05 W 0.05 A 0.05 E 0.04 Y 0.04 F 0.04 S 0.01 C Shift Assignments>> C :: 174.9(D) CA :: 55.2(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 :: 8.22(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 :: 117.5(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 R 0.03 HN Overlap>> G64 C Shift Assignments>> C :: 174.3(D) CA :: 45.4(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.06(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.3(D) Ave N Shift Values>> N :: 109.91(4.29) S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 Y 0.12 S 0.11 W 0.11 E 0.09 R 0.07 K 0.07 Q 0.06 H 0.05 M 0.04 L 0.03 I 0.02 V 0.02 T 0.01 D 0.01 C Shift Assignments>> C :: 174.3(D) CA :: 58.2(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.92(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 :: 115.7(D) Ave N Shift Values>> N :: 116.3(3.95) A8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.13 L 0.05 M 0.04 H 0.04 P 0.03 R 0.02 Q 0.02 K 0.01 W 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 52.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.99(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.1(D) Ave N Shift Values>> N :: 123.23(3.7) L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.1 H 0.09 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.06 W 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 HN Overlap>> I85 C Shift Assignments>> C :: 177.3(D) CA :: 55(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.65(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 121.98(4.07) H10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.12 M 0.09 H 0.08 N 0.08 A 0.07 Q 0.07 R 0.06 K 0.06 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 175.1(D) CA :: 54.8(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 :: 8.04(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 :: 119(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) W11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 E 0.07 R 0.06 I 0.06 K 0.05 V 0.04 T 0.04 Q 0.04 H 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 177.5(D) CA :: 59.1(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 :: 7.63(D) 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) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) R12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 W 0.1 E 0.07 R 0.06 I 0.05 K 0.05 Q 0.04 H 0.04 V 0.04 T 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 177.3(D) CA :: 59(D) 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 :: 7.75(D) 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 :: 120.4(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) A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.14 A 0.12 L 0.1 M 0.08 H 0.07 Q 0.05 R 0.05 K 0.04 W 0.03 Y 0.03 E 0.02 F 0.02 C Shift Assignments>> C :: 178.4(D) CA :: 54.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.57(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3(D) Ave N Shift Values>> N :: 123.23(3.7) A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 N 0.12 A 0.11 L 0.1 M 0.08 H 0.07 Q 0.05 R 0.05 K 0.05 W 0.03 Y 0.03 E 0.03 F 0.02 HN Overlap>> L20 C Shift Assignments>> C :: 180.1(D) CA :: 54.3(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.87(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.8(D) Ave N Shift Values>> N :: 123.23(3.7) G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 174.4(D) CA :: 47(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.49(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7(D) Ave N Shift Values>> N :: 109.91(4.29) A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.1 H 0.09 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.06 W 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 HN Overlap>> W98 C Shift Assignments>> C :: 178.5(D) CA :: 55(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) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 123.23(3.7) A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.1 H 0.09 N 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 W 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 178.3(D) CA :: 54.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.19(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(D) Ave N Shift Values>> N :: 123.23(3.7) T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 T 0.23 I 0.15 S 0.08 P 0.04 C Shift Assignments>> C :: 175.8(D) CA :: 67.5(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.67(D) 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 :: 113.8(D) Ave N Shift Values>> N :: 115.7(5.05) V19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 T 0.23 I 0.15 S 0.13 P 0.08 HN Overlap>> Y67 V111 L136 C Shift Assignments>> C :: 177.2(D) CA :: 66.8(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.74(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 121.02(4.96) L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.1 Y 0.09 R 0.09 F 0.09 K 0.08 Q 0.08 H 0.07 S 0.07 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 HN Overlap>> A14 C Shift Assignments>> C :: 177.9(D) CA :: 57.5(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.86(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.7(D) Ave N Shift Values>> N :: 121.98(4.07) L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.1 R 0.09 Y 0.09 K 0.09 F 0.08 Q 0.08 H 0.07 M 0.06 S 0.06 L 0.04 D 0.01 I 0.01 V 0.01 HN Overlap>> F133 N143 C Shift Assignments>> C :: 178.2(D) CA :: 57.4(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.03(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 121.98(4.07) V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.31 I 0.13 S 0.11 P 0.06 HN Overlap>> V76 D142 C Shift Assignments>> C :: 177.5(D) CA :: 67(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.99(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.2(D) Ave N Shift Values>> N :: 121.02(4.96) I23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 S 0.21 T 0.19 I 0.14 P 0.13 C Shift Assignments>> C :: 177.6(D) CA :: 65.8(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.07(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 121.6(4.72) V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.38 T 0.23 I 0.15 S 0.13 P 0.08 C Shift Assignments>> C :: 177.9(D) CA :: 66.8(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.25(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 121.02(4.96) L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 Y 0.11 F 0.1 E 0.1 R 0.08 S 0.08 K 0.08 Q 0.07 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 180.2(D) CA :: 57.8(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.32(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 121.98(4.07) L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 W 0.11 F 0.11 E 0.1 S 0.09 R 0.08 K 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 178.5(D) CA :: 57.9(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.56(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 :: 121.3(D) Ave N Shift Values>> N :: 121.98(4.07) A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.1 H 0.09 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.06 W 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 179.7(D) CA :: 55(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.75(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 123.23(3.7) G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> C :: 175.1(D) CA :: 47(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.84(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105(D) Ave N Shift Values>> N :: 109.91(4.29) S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 F 0.08 Y 0.06 S 0.06 W 0.05 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 175.6(D) CA :: 61(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.07(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 :: 117.9(D) Ave N Shift Values>> N :: 116.3(3.95) Y30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 F 0.08 Y 0.06 S 0.06 W 0.05 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.3(D) CA :: 61(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 :: 8.08(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 :: 122.6(D) Ave N Shift Values>> N :: 120.79(4.69) L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.1 Y 0.09 R 0.09 F 0.09 K 0.08 Q 0.08 H 0.07 S 0.07 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 HN Overlap>> V100 C Shift Assignments>> C :: 178.7(D) CA :: 57.5(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.18(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 121.98(4.07) A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.1 H 0.09 N 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 W 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 HN Overlap>> A35 C Shift Assignments>> C :: 179.5(D) CA :: 54.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.15(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 123.23(3.7) V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 S 0.2 T 0.19 I 0.14 P 0.12 HN Overlap>> D65 V69 V91 C Shift Assignments>> C :: 178.5(D) CA :: 66(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.84(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 121.02(4.96) L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.1 Y 0.09 R 0.09 F 0.09 K 0.08 Q 0.08 H 0.07 S 0.07 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 HN Overlap>> A118 C Shift Assignments>> C :: 179.7(D) CA :: 57.5(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.97(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 :: 120.7(D) Ave N Shift Values>> N :: 121.98(4.07) A35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.15 A 0.13 L 0.1 M 0.07 H 0.07 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 HN Overlap>> A32 C Shift Assignments>> C :: 179.9(D) CA :: 54.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.18(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 123.23(3.7) E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 E 0.1 Q 0.09 W 0.09 H 0.08 Y 0.08 M 0.07 F 0.07 L 0.05 S 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 177.7(D) CA :: 57.1(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 :: 7.98(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(D) Ave N Shift Values>> N :: 120.68(3.68) R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 K 0.1 R 0.09 L 0.08 E 0.07 W 0.07 Y 0.06 F 0.06 D 0.03 S 0.03 N 0.01 A 0.01 HN Overlap>> D142 C Shift Assignments>> C :: 177.2(D) CA :: 56.5(D) 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 :: 7.98(D) 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 :: 118(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) G38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 173.5(D) CA :: 45(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.6(D) Ave N Shift Values>> N :: 109.91(4.29) A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.73 A 0.11 N 0.07 D 0.03 L 0.01 C Shift Assignments>> C :: 175.6(D) CA :: 50.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2(D) Ave N Shift Values>> N :: 123.23(3.7) P40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.24 S 0.22 V 0.19 T 0.16 I 0.13 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.8(D) CA :: 63.5(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) G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.3(D) CA :: 45.5(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.17(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.8(D) Ave N Shift Values>> N :: 109.91(4.29) A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 N 0.25 D 0.13 L 0.06 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 177.9(D) CA :: 52.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.76(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 123.23(3.7) Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.1 L 0.09 K 0.09 R 0.09 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> H113 E137 C Shift Assignments>> C :: 176.6(D) CA :: 56.2(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.01(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 :: 117.7(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 K 0.1 R 0.09 L 0.08 E 0.07 W 0.07 Y 0.06 F 0.06 D 0.03 S 0.03 N 0.01 A 0.01 HN Overlap>> R124 C Shift Assignments>> C :: 177.3(D) CA :: 56.5(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.93(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 :: 121.9(D) Ave N Shift Values>> N :: 121.98(4.07) I45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.19 V 0.18 F 0.07 Y 0.06 S 0.05 P 0.05 W 0.05 E 0.02 R 0.02 K 0.01 H 0.01 C Shift Assignments>> C :: 175.4(D) CA :: 61.2(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.49(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.7(D) Ave N Shift Values>> N :: 121.6(4.72) T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 T 0.21 I 0.17 P 0.16 S 0.11 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 174.9(D) CA :: 62.6(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.5(D) 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 :: 114.9(D) Ave N Shift Values>> N :: 115.7(5.05) Y47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 W 0.1 E 0.08 R 0.06 K 0.05 Q 0.04 I 0.04 H 0.04 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 174.6(D) CA :: 58.8(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 :: 7.78(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 :: 121.4(D) Ave N Shift Values>> N :: 120.79(4.69) P48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.26 V 0.23 P 0.18 T 0.17 I 0.12 C Shift Assignments>> C :: 177.2(D) CA :: 64.9(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) R49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.12 Y 0.11 W 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.04 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 177(D) CA :: 58.6(D) 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 :: 7.61(D) 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 :: 117.5(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) A50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.15 A 0.13 L 0.1 M 0.07 H 0.07 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 180.2(D) CA :: 54.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.69(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 123.23(3.7) L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 R 0.1 K 0.09 W 0.09 Q 0.09 Y 0.08 H 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 HN Overlap>> L75 M81 R135 C Shift Assignments>> C :: 178.4(D) CA :: 57.2(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.86(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.8(D) Ave N Shift Values>> N :: 121.98(4.07) W52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 W 0.1 I 0.08 E 0.07 T 0.06 V 0.05 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 HN Overlap>> W53 V111 C Shift Assignments>> C :: 178.4(D) CA :: 59.4(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 :: 7.84(D) 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 :: 120.1(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) W53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 E 0.07 I 0.07 R 0.06 K 0.05 V 0.05 T 0.05 Q 0.04 H 0.04 M 0.03 L 0.01 HN Overlap>> W52 V79 C Shift Assignments>> C :: 179(D) CA :: 59.2(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 :: 7.92(D) 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 :: 120.1(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.22 V 0.2 P 0.08 F 0.05 Y 0.04 S 0.03 W 0.03 E 0.01 R 0.01 HN Overlap>> S87 C Shift Assignments>> C :: 175.9(D) CA :: 61.7(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.7(D) Ave N Shift Values>> N :: 116.3(3.95) V55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 V 0.25 T 0.17 P 0.16 I 0.13 C Shift Assignments>> C :: 177.9(D) CA :: 65.2(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122(D) Ave N Shift Values>> N :: 121.02(4.96) E56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 W 0.11 F 0.11 E 0.1 S 0.09 R 0.08 K 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 178.1(D) CA :: 57.9(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.12(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 :: 119.9(D) Ave N Shift Values>> N :: 120.68(3.68) T57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.28 P 0.21 V 0.19 T 0.15 I 0.12 F 0.01 C Shift Assignments>> C :: 175.5(D) CA :: 64(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.73(D) 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 :: 113.7(D) Ave N Shift Values>> N :: 115.7(5.05) A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 A 0.17 D 0.16 L 0.09 M 0.07 H 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 178.5(D) CA :: 53.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.6(D) Ave N Shift Values>> N :: 123.23(3.7) T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.23 T 0.2 P 0.19 I 0.16 S 0.13 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.3(D) CA :: 62.8(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.71(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.4(D) Ave N Shift Values>> N :: 115.7(5.05) T60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.23 T 0.2 P 0.19 I 0.16 S 0.13 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.2(D) CA :: 62.8(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.69(D) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115(D) Ave N Shift Values>> N :: 115.7(5.05) V61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.23 T 0.2 P 0.19 I 0.16 S 0.13 F 0.02 Y 0.01 W 0.01 HN Overlap>> R74 C Shift Assignments>> C :: 176.4(D) CA :: 62.8(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.69(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.8(D) Ave N Shift Values>> N :: 121.02(4.96) G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 174(D) CA :: 45(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.84(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.1(D) Ave N Shift Values>> N :: 109.91(4.29) Y63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 Y 0.12 S 0.11 W 0.11 E 0.09 R 0.07 K 0.07 Q 0.06 H 0.05 M 0.04 L 0.03 I 0.02 V 0.02 T 0.01 D 0.01 HN Overlap>> L75 C Shift Assignments>> C :: 176.5(D) CA :: 58.2(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) Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 120.79(4.69) G64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 R 0.02 HN Overlap>> G6 C Shift Assignments>> C :: 174.3(D) CA :: 45.7(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.4(D) Ave N Shift Values>> N :: 109.91(4.29) D65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.24 D 0.14 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 HN Overlap>> V33 V91 N143 C Shift Assignments>> C :: 174.8(D) CA :: 53.1(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 :: 7.87(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 :: 118.3(D) Ave N Shift Values>> N :: 120.73(4.2) L66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.1 H 0.09 Q 0.07 R 0.06 N 0.06 K 0.06 A 0.06 W 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 HN Overlap>> R74 C Shift Assignments>> C :: 176.2(D) CA :: 55(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.76(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 :: 120.9(D) Ave N Shift Values>> N :: 121.98(4.07) Y67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 E 0.07 R 0.06 I 0.06 K 0.05 V 0.04 T 0.04 Q 0.04 H 0.04 M 0.03 L 0.02 HN Overlap>> V19 V111 L136 C Shift Assignments>> C :: 174.4(D) CA :: 59.1(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 :: 7.69(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 :: 120.1(D) Ave N Shift Values>> N :: 120.79(4.69) P68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.24 S 0.2 V 0.19 T 0.16 I 0.13 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.8(D) CA :: 63.4(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) V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 S 0.2 V 0.19 T 0.16 I 0.13 F 0.01 Y 0.01 HN Overlap>> V33 W72 C Shift Assignments>> C :: 177(D) CA :: 63.4(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.75(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 121.02(4.96) T70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 P 0.2 T 0.19 I 0.16 S 0.14 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.7(D) CA :: 62.9(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.65(D) 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 :: 114.4(D) Ave N Shift Values>> N :: 115.7(5.05) L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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 HN Overlap>> A128 C Shift Assignments>> C :: 177.4(D) CA :: 57.3(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.88(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 :: 123.2(D) Ave N Shift Values>> N :: 121.98(4.07) W72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 I 0.07 E 0.07 R 0.06 V 0.05 T 0.05 K 0.05 H 0.04 Q 0.04 M 0.03 L 0.01 HN Overlap>> V69 R138 C Shift Assignments>> C :: 177.6(D) CA :: 59.3(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 :: 7.7(D) 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 :: 118.3(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G73 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Duplicate N Shifts: Anomalous PRTL>> W 0.99 C Shift Assignments>> C :: 176(D) CA :: 106(M) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.94(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 46.8(M) Ave N Shift Values>> N :: 109.91(4.29) R74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 Y 0.12 S 0.11 W 0.1 E 0.09 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.03 L 0.03 V 0.02 T 0.02 HN Overlap>> V61 L66 C Shift Assignments>> C :: 177.6(D) CA :: 58.3(D) 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 :: 7.69(D) 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 :: 120.9(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) L75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 Y 0.11 F 0.1 E 0.1 R 0.08 S 0.08 K 0.08 Q 0.07 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 HN Overlap>> L51 Y63 E103 R135 C Shift Assignments>> C :: 178.5(D) CA :: 57.8(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.84(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 121.98(4.07) V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 T 0.21 S 0.17 I 0.14 P 0.1 HN Overlap>> V22 D142 C Shift Assignments>> C :: 177.1(D) CA :: 66.4(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.04(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.1(D) Ave N Shift Values>> N :: 121.02(4.96) A77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.1 H 0.09 N 0.07 Q 0.07 A 0.06 R 0.06 K 0.06 W 0.04 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 179.9(D) CA :: 54.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.56(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.9(D) Ave N Shift Values>> N :: 123.23(3.7) V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 T 0.2 S 0.18 I 0.14 P 0.11 C Shift Assignments>> C :: 177.4(D) CA :: 66.2(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.73(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.3(D) Ave N Shift Values>> N :: 121.02(4.96) V79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 T 0.27 I 0.14 S 0.12 P 0.07 HN Overlap>> W53 R106 C Shift Assignments>> C :: 177.6(D) CA :: 66.9(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.2(D) Ave N Shift Values>> N :: 121.02(4.96) V80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.33 T 0.2 S 0.18 I 0.14 P 0.11 C Shift Assignments>> C :: 178.4(D) CA :: 66.2(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.24(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 121.02(4.96) M81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.12 Y 0.11 W 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.04 V 0.02 T 0.02 L 0.02 HN Overlap>> R4 L51 R135 R144 C Shift Assignments>> C :: 178.8(D) CA :: 58.6(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 :: 7.86(D) 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(D) Ave N Shift Values>> N :: 120.1(3.88) V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 S 0.21 T 0.19 I 0.14 P 0.13 C Shift Assignments>> C :: 178.2(D) CA :: 65.8(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.37(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.9(D) Ave N Shift Values>> N :: 121.02(4.96) A83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.15 A 0.13 L 0.1 M 0.07 H 0.07 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> CA :: 54.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.51(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.2(D) Ave N Shift Values>> N :: 123.23(3.7) G84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.9(D) CA :: 45.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 F 0.08 Y 0.06 S 0.06 W 0.05 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 HN Overlap>> L9 C Shift Assignments>> C :: 177(D) CA :: 61(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.62(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 121.6(4.72) T86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.24 P 0.23 V 0.19 T 0.16 I 0.12 F 0.01 HN Overlap>> T125 T126 C Shift Assignments>> C :: 175.4(D) CA :: 63.6(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.87(D) 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) S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.12 Y 0.11 W 0.09 I 0.09 E 0.06 T 0.06 V 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.03 L 0.01 HN Overlap>> S54 C Shift Assignments>> C :: 175(D) CA :: 59.5(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.93(D) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.7(D) Ave N Shift Values>> N :: 116.3(3.95) F88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.13 F 0.12 S 0.11 Y 0.1 T 0.09 V 0.09 W 0.08 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.02 M 0.02 L 0.01 P 0.01 C Shift Assignments>> C :: 177.8(D) CA :: 60(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 :: 8.2(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 :: 121.9(D) Ave N Shift Values>> N :: 120.69(4.18) G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.2(D) CA :: 46.6(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.39(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.2(D) Ave N Shift Values>> N :: 109.91(4.29) L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 E 0.1 Q 0.09 W 0.09 H 0.08 Y 0.08 M 0.07 F 0.07 L 0.05 S 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 178.9(D) CA :: 57.1(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.86(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 :: 121.7(D) Ave N Shift Values>> N :: 121.98(4.07) V91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 S 0.2 T 0.19 I 0.14 P 0.12 HN Overlap>> V33 D65 N143 C Shift Assignments>> C :: 177.6(D) CA :: 66(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.83(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 121.02(4.96) T92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 T 0.2 S 0.19 I 0.14 P 0.12 C Shift Assignments>> C :: 176.5(D) CA :: 66.1(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.93(D) 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 :: 113.6(D) Ave N Shift Values>> N :: 115.7(5.05) A93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.12 M 0.09 H 0.08 N 0.08 A 0.07 Q 0.07 R 0.06 K 0.06 W 0.04 E 0.04 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 180.3(D) CA :: 54.8(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.82(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 123.23(3.7) A94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 D 0.12 M 0.1 H 0.09 Q 0.07 R 0.07 K 0.07 N 0.06 A 0.05 W 0.05 E 0.04 Y 0.04 F 0.03 S 0.01 C Shift Assignments>> C :: 179.9(D) CA :: 55.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.93(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.3(D) Ave N Shift Values>> N :: 123.23(3.7) L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 Y 0.1 E 0.1 F 0.09 R 0.08 K 0.08 S 0.08 Q 0.07 H 0.06 M 0.06 L 0.04 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 178.8(D) CA :: 57.7(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.23(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.8(D) Ave N Shift Values>> N :: 121.98(4.07) A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.11 M 0.1 H 0.09 Q 0.08 R 0.07 K 0.07 N 0.05 W 0.05 A 0.05 E 0.04 Y 0.04 F 0.04 S 0.01 C Shift Assignments>> C :: 179.5(D) CA :: 55.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.39(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121(D) Ave N Shift Values>> N :: 123.23(3.7) T97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 T 0.2 S 0.19 I 0.14 P 0.12 C Shift Assignments>> C :: 176.8(D) CA :: 66.1(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.93(D) 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 :: 113.4(D) Ave N Shift Values>> N :: 115.7(5.05) W98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.17 V 0.16 F 0.08 Y 0.07 S 0.07 W 0.06 P 0.03 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 M 0.01 HN Overlap>> A16 C Shift Assignments>> C :: 178(D) CA :: 60.9(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 :: 8.16(D) 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 :: 123.9(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) F99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.18 V 0.17 F 0.07 Y 0.06 S 0.06 W 0.05 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 177.7(D) CA :: 61.1(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 :: 8.6(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 :: 118.7(D) Ave N Shift Values>> N :: 120.69(4.18) V100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 V 0.24 T 0.17 P 0.17 I 0.13 HN Overlap>> L31 C Shift Assignments>> C :: 178.2(D) CA :: 65.1(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.19(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.2(D) Ave N Shift Values>> N :: 121.02(4.96) G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 175.6(D) CA :: 46(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.77(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5(D) Ave N Shift Values>> N :: 109.91(4.29) R102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 K 0.1 R 0.09 L 0.08 E 0.07 W 0.07 Y 0.06 F 0.06 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 56.5(D) 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 :: 7.47(D) 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 :: 120.7(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) E103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.11 K 0.1 Q 0.1 H 0.09 E 0.09 W 0.08 M 0.08 Y 0.07 F 0.06 L 0.06 S 0.04 D 0.02 I 0.01 HN Overlap>> L75 C Shift Assignments>> C :: 177(D) CA :: 56.9(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.93(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 :: 119.9(D) Ave N Shift Values>> N :: 120.68(3.68) Q104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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>> L129 C Shift Assignments>> C :: 176.3(D) CA :: 56.8(D) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.91(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 :: 119(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.11 K 0.1 Q 0.09 E 0.09 H 0.08 W 0.08 M 0.08 Y 0.07 F 0.07 L 0.06 S 0.05 D 0.02 I 0.01 HN Overlap>> R106 C Shift Assignments>> C :: 176.6(D) CA :: 57(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 :: 7.81(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 :: 120.3(D) Ave N Shift Values>> N :: 120.68(3.68) R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.11 K 0.1 Q 0.09 E 0.09 H 0.08 W 0.08 M 0.08 Y 0.07 F 0.07 L 0.06 S 0.05 D 0.02 I 0.01 HN Overlap>> V79 E105 R107 C Shift Assignments>> C :: 176.9(D) CA :: 57(D) 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 :: 7.92(D) 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 :: 120.3(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) R107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 K 0.1 R 0.09 L 0.08 E 0.07 W 0.07 Y 0.06 F 0.06 D 0.03 S 0.03 N 0.01 A 0.01 HN Overlap>> R106 C Shift Assignments>> C :: 176.9(D) CA :: 56.5(D) 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 :: 7.89(D) 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 :: 120.4(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) G108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 174.1(D) CA :: 45.2(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.99(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.7(D) Ave N Shift Values>> N :: 109.91(4.29) H109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 D 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.04 A 0.03 S 0.02 HN Overlap>> E119 C Shift Assignments>> C :: 174.5(D) CA :: 55.5(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 :: 7.95(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 :: 117.3(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 W 0.1 E 0.08 R 0.06 K 0.05 Q 0.04 I 0.04 H 0.04 M 0.04 V 0.03 T 0.03 L 0.02 C Shift Assignments>> C :: 176.2(D) CA :: 58.8(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 :: 8.06(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 :: 120.5(D) Ave N Shift Values>> N :: 120.69(4.18) V111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 P 0.21 T 0.19 I 0.15 S 0.15 F 0.02 Y 0.01 W 0.01 HN Overlap>> V19 W52 Y67 C Shift Assignments>> C :: 176.3(D) CA :: 63(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.73(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 121.02(4.96) R112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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 C Shift Assignments>> C :: 177(D) CA :: 56.8(D) 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 :: 7.85(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.5(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) H113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 D 0.06 W 0.06 E 0.06 Y 0.05 F 0.05 S 0.02 N 0.02 A 0.02 HN Overlap>> Q43 E137 C Shift Assignments>> C :: 175.1(D) CA :: 55.9(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>> H :: 8.11(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 :: 117.7(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 E 0.07 R 0.06 I 0.06 K 0.05 V 0.04 T 0.04 Q 0.04 H 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 175(D) CA :: 59.1(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.01(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 :: 115.9(D) Ave N Shift Values>> N :: 116.3(3.95) E115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 R 0.1 K 0.09 W 0.09 Q 0.09 Y 0.08 H 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.2(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.13(D) 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(D) Ave N Shift Values>> N :: 120.68(3.68) K116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.11 E 0.1 Y 0.1 F 0.09 R 0.09 K 0.08 Q 0.07 S 0.07 H 0.07 M 0.06 L 0.04 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 177.8(D) CA :: 57.6(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 :: 7.92 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.17 D 0.17 A 0.15 L 0.09 M 0.07 H 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 179(D) CA :: 53.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.91(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.7(D) Ave N Shift Values>> N :: 123.23(3.7) A118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.17 D 0.17 A 0.15 L 0.09 M 0.07 H 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 HN Overlap>> L34 C Shift Assignments>> C :: 178.7(D) CA :: 53.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.92(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.6(D) Ave N Shift Values>> N :: 123.23(3.7) E119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 Y 0.11 F 0.1 E 0.1 R 0.08 S 0.08 K 0.08 Q 0.07 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 HN Overlap>> H109 C Shift Assignments>> C :: 177.6(D) CA :: 57.8(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 :: 7.94(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 :: 117.2(D) Ave N Shift Values>> N :: 120.68(3.68) E120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 E 0.1 Q 0.09 W 0.09 H 0.08 Y 0.08 M 0.07 F 0.07 L 0.05 S 0.05 D 0.02 I 0.01 HN Overlap>> L140 C Shift Assignments>> C :: 177.4(D) CA :: 57.1(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 :: 7.85(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 :: 119.4(D) Ave N Shift Values>> N :: 120.68(3.68) A121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.16 A 0.14 L 0.09 M 0.07 H 0.06 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 179(D) CA :: 54(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.09(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 123.23(3.7) Y122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.12 S 0.12 I 0.11 Y 0.1 W 0.09 T 0.08 V 0.08 E 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.1(D) CA :: 59.8(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 :: 8.15(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 :: 119.3(D) Ave N Shift Values>> N :: 120.79(4.69) T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.28 P 0.21 V 0.19 T 0.15 I 0.12 F 0.01 C Shift Assignments>> C :: 175.6(D) CA :: 63.9(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.98(D) 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 :: 114.9(D) Ave N Shift Values>> N :: 115.7(5.05) R124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 R 0.1 K 0.09 W 0.09 Q 0.09 Y 0.08 H 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 HN Overlap>> L44 C Shift Assignments>> C :: 177.6(D) CA :: 57.2(D) 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 :: 7.93(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.8(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) T125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.28 P 0.2 V 0.19 T 0.15 I 0.12 F 0.01 HN Overlap>> T86 T126 C Shift Assignments>> C :: 175.5(D) CA :: 64.1(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.86(D) 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 :: 114.7(D) Ave N Shift Values>> N :: 115.7(5.05) T126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 S 0.2 V 0.19 T 0.16 I 0.13 F 0.01 Y 0.01 HN Overlap>> T86 T125 C Shift Assignments>> C :: 176.1(D) CA :: 63.4(D) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.9(D) 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) R127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 R 0.1 K 0.09 W 0.09 Q 0.09 Y 0.08 H 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 177.2(D) CA :: 57.2(D) 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 :: 7.82(D) 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 :: 122.6(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) A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.26 N 0.24 D 0.14 L 0.07 M 0.05 H 0.05 R 0.03 Q 0.03 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 HN Overlap>> L71 C Shift Assignments>> C :: 179(D) CA :: 53.2(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.85(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.2(D) Ave N Shift Values>> N :: 123.23(3.7) L129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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>> Q104 C Shift Assignments>> C :: 178.2(D) CA :: 56.8(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.92(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119(D) Ave N Shift Values>> N :: 121.98(4.07) H130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 R 0.1 K 0.09 W 0.09 Q 0.09 Y 0.08 H 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 C Shift Assignments>> C :: 175.9(D) CA :: 57.2(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 :: 8.11(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 :: 116.8(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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>> C :: 177.9(D) CA :: 57.3(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8(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 :: 118.7(D) Ave N Shift Values>> N :: 120.68(3.68) R132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 W 0.1 Y 0.09 R 0.09 F 0.09 K 0.08 Q 0.08 H 0.07 S 0.07 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 177.3(D) CA :: 57.5(D) 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 :: 7.79(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119(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) F133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 F 0.13 Y 0.11 W 0.1 E 0.07 I 0.07 R 0.06 K 0.05 V 0.05 T 0.05 Q 0.04 H 0.04 M 0.03 L 0.01 HN Overlap>> L21 D134 C Shift Assignments>> C :: 176.7(D) CA :: 59.2(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 :: 8.01(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 :: 118.5(D) Ave N Shift Values>> N :: 120.69(4.18) D134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 D 0.07 W 0.06 E 0.05 Y 0.05 F 0.04 N 0.03 A 0.02 S 0.02 HN Overlap>> F133 C Shift Assignments>> C :: 177.5(D) CA :: 55.7(D) Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.09(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 :: 118.5(D) Ave N Shift Values>> N :: 120.73(4.2) R135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.12 Y 0.11 W 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.05 M 0.04 I 0.04 V 0.02 T 0.02 L 0.02 HN Overlap>> L51 L75 M81 C Shift Assignments>> C :: 178.2(D) CA :: 58.6(D) 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 :: 7.87(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.8(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) L136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 R 0.1 K 0.09 W 0.09 Q 0.09 Y 0.08 H 0.08 F 0.07 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 HN Overlap>> V19 Y67 C Shift Assignments>> C :: 178.3(D) CA :: 57.2(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.66(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 :: 120.2(D) Ave N Shift Values>> N :: 121.98(4.07) E137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 F 0.13 Y 0.11 W 0.1 E 0.08 R 0.07 K 0.06 Q 0.05 H 0.04 I 0.04 M 0.04 V 0.03 T 0.03 L 0.02 HN Overlap>> Q43 H113 C Shift Assignments>> C :: 177.8(D) CA :: 58.7(D) Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.08(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 :: 117.7(D) Ave N Shift Values>> N :: 120.68(3.68) R138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.12 F 0.12 W 0.11 S 0.1 E 0.09 R 0.08 K 0.07 Q 0.06 H 0.05 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> W72 C Shift Assignments>> C :: 178.1(D) CA :: 58.1(D) 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 :: 7.62(D) 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 :: 118.3(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) M139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.11 Y 0.11 F 0.1 E 0.1 R 0.08 S 0.08 K 0.08 Q 0.07 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 177.5(D) CA :: 57.8(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 :: 7.69(D) 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 :: 118.8(D) Ave N Shift Values>> N :: 120.1(3.88) L140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.1 L 0.09 K 0.09 R 0.09 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> E120 C Shift Assignments>> C :: 178.1(D) CA :: 56.2(D) Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.8(D) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.3(D) Ave N Shift Values>> N :: 121.98(4.07) D141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.15 A 0.13 L 0.1 M 0.07 H 0.07 Q 0.05 R 0.04 K 0.04 W 0.03 Y 0.02 E 0.02 F 0.02 C Shift Assignments>> C :: 176.3(D) CA :: 54.1(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 :: 8.03(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 :: 117.4(D) Ave N Shift Values>> N :: 120.73(4.2) D142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.17 D 0.17 A 0.15 L 0.09 M 0.07 H 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 HN Overlap>> V22 R37 V76 C Shift Assignments>> C :: 177.1(D) CA :: 53.9(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 :: 8.02(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 :: 118.1(D) Ave N Shift Values>> N :: 120.73(4.2) N143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.19 A 0.17 D 0.16 L 0.09 M 0.07 H 0.06 Q 0.04 R 0.04 K 0.04 W 0.03 Y 0.02 F 0.02 E 0.02 HN Overlap>> L21 D65 V91 C Shift Assignments>> C :: 174.8(D) CA :: 53.8(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 :: 7.92(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 :: 118.4(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.1 L 0.09 K 0.09 R 0.09 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> R4 M81 C Shift Assignments>> C :: 175.8(D) CA :: 56.2(D) 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 :: 7.77(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.7(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) R145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.11 K 0.1 Q 0.1 H 0.09 E 0.09 W 0.08 M 0.08 Y 0.07 F 0.06 L 0.06 S 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 180.5 CA :: 56.9(D) 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 :: 7.64(D) 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 :: 125.8(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) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 142 #Suspicious: 0 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 144 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 2 C Shift Results: #Consistent: 3 #Duplicate: 283 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 H Shift Results: #Consistent: 1 #Duplicate: 140 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 139 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: L1 C = 1.771(M), Expected = 176.97, Std = 2.0900, ChiSquare = 0.0000e+00 L1 CA = 56.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.3433e-01 L1 H = 8.24(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.7545e-01 L1 N = 122.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.5958e-01 L1 SRO Rule Break>> C > CA : 1 L2 C = 1.776(M), Expected = 176.97, Std = 2.0900, ChiSquare = 0.0000e+00 L2 CA = 54.9(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.3433e-01 L2 H = 7.71(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.3268e-01 L2 N = 117.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.9298e-01 L2 SRO Rule Break>> C > CA : 1 G3 C = 174.9(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.5755e-01 G3 CA = 45.3(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.8314e-01 G3 H = 7.95(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.9817e-01 G3 N = 107.9(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.3940e-01 R4 C = 176.7(D), Expected = 176.49, Std = 2.1600, ChiSquare = 9.2255e-01 R4 CA = 56.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.8738e-01 R4 H = 7.82(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.8393e-01 R4 N = 119.6(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.9565e-01 H5 C = 174.9(D), Expected = 175.19, Std = 2.1400, ChiSquare = 8.9221e-01 H5 CA = 55.2(D), Expected = 56.37, Std = 2.4000, ChiSquare = 6.2590e-01 H5 H = 8.22(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.6766e-01 H5 N = 117.5(D), Expected = 119.44, Std = 4.5200, ChiSquare = 6.6777e-01 G6 C = 174.3(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.9339e-01 G6 CA = 45.4(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.6068e-01 G6 H = 8.06(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.0515e-01 G6 N = 109.3(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.8693e-01 S7 C = 174.3(D), Expected = 174.53, Std = 1.7300, ChiSquare = 8.9423e-01 S7 CA = 58.2(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.6145e-01 S7 H = 7.92(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.5066e-01 S7 N = 115.7(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.7927e-01 A8 C = 177.2(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8314e-01 A8 CA = 52.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.4120e-01 A8 H = 7.99(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.2634e-01 A8 N = 125.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.1327e-01 L9 C = 177.3(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.7454e-01 L9 CA = 55(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.6867e-01 L9 H = 7.65(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.8053e-01 L9 N = 119.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.7535e-01 H10 C = 175.1(D), Expected = 175.19, Std = 2.1400, ChiSquare = 9.6645e-01 H10 CA = 54.8(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.1300e-01 H10 H = 8.04(D), Expected = 8.25, Std = 0.7400, ChiSquare = 7.7658e-01 H10 N = 119(D), Expected = 119.44, Std = 4.5200, ChiSquare = 9.2245e-01 W11 C = 177.5(D), Expected = 176.10, Std = 1.8900, ChiSquare = 4.5885e-01 W11 CA = 59.1(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.9991e-01 W11 H = 7.63(D), Expected = 8.35, Std = 0.8400, ChiSquare = 3.9137e-01 W11 N = 120.7(D), Expected = 121.87, Std = 4.5800, ChiSquare = 7.9837e-01 R12 C = 177.3(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.0766e-01 R12 CA = 59(D), Expected = 56.95, Std = 2.4100, ChiSquare = 3.9498e-01 R12 H = 7.75(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.1412e-01 R12 N = 120.4(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.5706e-01 A13 C = 178.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8314e-01 A13 CA = 54.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.1366e-01 A13 H = 7.57(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.9372e-01 A13 N = 121.3(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.0193e-01 A14 C = 180.1(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.9140e-01 A14 CA = 54.3(D), Expected = 53.16, Std = 2.0600, ChiSquare = 5.7999e-01 A14 H = 7.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8232e-01 A14 N = 118.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 2.3119e-01 G15 C = 174.4(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.5278e-01 G15 CA = 47(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.3957e-01 G15 H = 8.49(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.3937e-01 G15 N = 107.7(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.0645e-01 A16 C = 178.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.4813e-01 A16 CA = 55(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A16 H = 8.16(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 A16 N = 123.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.5630e-01 A17 C = 178.3(D), Expected = 177.80, Std = 2.1800, ChiSquare = 8.1859e-01 A17 CA = 54.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.9830e-01 A17 H = 8.19(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8670e-01 A17 N = 118(D), Expected = 123.23, Std = 3.7000, ChiSquare = 1.5750e-01 T18 C = 175.8(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.0499e-01 T18 CA = 67.5(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.9193e-02 T18 H = 7.67(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.3317e-01 T18 N = 113.8(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.0674e-01 V19 C = 177.2(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.5697e-01 V19 CA = 66.8(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.5530e-01 V19 H = 7.74(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.3855e-01 V19 N = 120.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.6869e-01 L20 C = 177.9(D), Expected = 176.97, Std = 2.0900, ChiSquare = 6.5634e-01 L20 CA = 57.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0253e-01 L20 H = 7.86(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.7968e-01 L20 N = 118.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.2030e-01 L21 C = 178.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.5619e-01 L21 CA = 57.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.2845e-01 L21 H = 8.03(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.7005e-01 L21 N = 118.4(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.7907e-01 V22 C = 177.5(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.7259e-01 V22 CA = 67(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3706e-01 V22 H = 7.99(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.7263e-01 V22 N = 118.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.6966e-01 I23 C = 177.6(D), Expected = 175.82, Std = 1.9500, ChiSquare = 3.6134e-01 I23 CA = 65.8(D), Expected = 61.59, Std = 2.7800, ChiSquare = 1.2993e-01 I23 H = 8.07(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.8900e-01 I23 N = 119.4(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.4114e-01 V24 C = 177.9(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.7630e-01 V24 CA = 66.8(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.5530e-01 V24 H = 8.25(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.5507e-01 V24 N = 119.5(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.5926e-01 L25 C = 180.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.2224e-01 L25 CA = 57.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3063e-01 L25 H = 8.32(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.7773e-01 L25 N = 119.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.0931e-01 L26 C = 178.5(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.6413e-01 L26 CA = 57.9(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.0863e-01 L26 H = 8.56(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.0092e-01 L26 N = 121.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 8.6731e-01 A27 C = 179.7(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.8345e-01 A27 CA = 55(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.7175e-01 A27 H = 8.75(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5932e-01 A27 N = 121.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.4009e-01 G28 C = 175.1(D), Expected = 174.04, Std = 1.9400, ChiSquare = 5.8480e-01 G28 CA = 47(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.3957e-01 G28 H = 8.84(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.9925e-01 G28 N = 105(D), Expected = 109.91, Std = 4.2900, ChiSquare = 2.5241e-01 S29 C = 175.6(D), Expected = 174.53, Std = 1.7300, ChiSquare = 5.3625e-01 S29 CA = 61(D), Expected = 58.57, Std = 2.1200, ChiSquare = 2.5170e-01 S29 H = 8.07(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.2271e-01 S29 N = 117.9(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.8543e-01 Y30 C = 177.3(D), Expected = 175.39, Std = 1.8900, ChiSquare = 3.1222e-01 Y30 CA = 61(D), Expected = 58.02, Std = 2.6400, ChiSquare = 2.5899e-01 Y30 H = 8.08(D), Expected = 8.37, Std = 0.7500, ChiSquare = 6.9900e-01 Y30 N = 122.6(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.9955e-01 L31 C = 178.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.0781e-01 L31 CA = 57.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0253e-01 L31 H = 8.18(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.5093e-01 L31 N = 118.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 3.6590e-01 A32 C = 179.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.3550e-01 A32 CA = 54.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.9830e-01 A32 H = 8.15(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 A32 N = 121.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.6483e-01 V33 C = 178.5(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.6629e-01 V33 CA = 66(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.4691e-01 V33 H = 7.84(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.2621e-01 V33 N = 118.3(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.8343e-01 L34 C = 179.7(D), Expected = 176.97, Std = 2.0900, ChiSquare = 1.9148e-01 L34 CA = 57.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.0253e-01 L34 H = 7.97(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.0052e-01 L34 N = 120.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.5314e-01 A35 C = 179.9(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.3540e-01 A35 CA = 54.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.4817e-01 A35 H = 8.18(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.7341e-01 A35 N = 121.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.8325e-01 E36 C = 177.7(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.1516e-01 E36 CA = 57.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.8383e-01 E36 H = 7.98(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.5508e-01 E36 N = 117(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.1731e-01 R37 C = 177.2(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.4238e-01 R37 CA = 56.5(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.5188e-01 R37 H = 7.98(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.6477e-01 R37 N = 118(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.0335e-01 G38 C = 173.5(D), Expected = 174.04, Std = 1.9400, ChiSquare = 7.8074e-01 G38 CA = 45(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.1623e-01 G38 H = 7.83(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.9070e-01 G38 N = 108.6(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.6009e-01 A39 C = 175.6(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.1289e-01 A39 CA = 50.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 1.5075e-01 A39 H = 7.83(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 A39 N = 124.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.9320e-01 P40 C = 177.8(D), Expected = 176.70, Std = 1.6900, ChiSquare = 5.1512e-01 P40 CA = 63.5(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.0294e-01 G41 C = 174.3(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.9339e-01 G41 CA = 45.5(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.0471e-01 G41 H = 8.17(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.1830e-01 G41 N = 108.8(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.9583e-01 A42 C = 177.9(D), Expected = 177.80, Std = 2.1800, ChiSquare = 9.6341e-01 A42 CA = 52.8(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.6127e-01 A42 H = 7.76(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6336e-01 A42 N = 122.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.0748e-01 Q43 C = 176.6(D), Expected = 176.39, Std = 1.9600, ChiSquare = 9.1468e-01 Q43 CA = 56.2(D), Expected = 56.62, Std = 2.1900, ChiSquare = 8.4791e-01 Q43 H = 8.01(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.3483e-01 Q43 N = 117.7(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.7984e-01 L44 C = 177.3(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.7454e-01 L44 CA = 56.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.0052e-01 L44 H = 7.93(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.5549e-01 L44 N = 121.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.8432e-01 I45 C = 175.4(D), Expected = 175.82, Std = 1.9500, ChiSquare = 8.2947e-01 I45 CA = 61.2(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.8843e-01 I45 H = 7.49(D), Expected = 8.26, Std = 0.7100, ChiSquare = 2.7814e-01 I45 N = 115.7(D), Expected = 121.60, Std = 4.7200, ChiSquare = 2.1130e-01 T46 C = 174.9(D), Expected = 174.60, Std = 1.8000, ChiSquare = 8.6763e-01 T46 CA = 62.6(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.6860e-01 T46 H = 7.5(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.1426e-01 T46 N = 114.9(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.7413e-01 Y47 C = 174.6(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.7595e-01 Y47 CA = 58.8(D), Expected = 58.02, Std = 2.6400, ChiSquare = 7.6765e-01 Y47 H = 7.78(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.3148e-01 Y47 N = 121.4(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.9652e-01 P48 C = 177.2(D), Expected = 176.70, Std = 1.6900, ChiSquare = 7.6734e-01 P48 CA = 64.9(D), Expected = 63.30, Std = 1.6400, ChiSquare = 3.2926e-01 R49 C = 177(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.1335e-01 R49 CA = 58.6(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.9357e-01 R49 H = 7.61(D), Expected = 8.24, Std = 0.6000, ChiSquare = 2.9372e-01 R49 N = 117.5(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.2520e-01 A50 C = 180.2(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.7093e-01 A50 CA = 54.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.4817e-01 A50 H = 7.69(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9533e-01 A50 N = 121.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.8325e-01 L51 C = 178.4(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.9384e-01 L51 CA = 57.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.8308e-01 L51 H = 7.86(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.7968e-01 L51 N = 119.8(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.9222e-01 W52 C = 178.4(D), Expected = 176.10, Std = 1.8900, ChiSquare = 2.2363e-01 W52 CA = 59.4(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.2365e-01 W52 H = 7.84(D), Expected = 8.35, Std = 0.8400, ChiSquare = 5.4376e-01 W52 N = 120.1(D), Expected = 121.87, Std = 4.5800, ChiSquare = 6.9915e-01 W53 C = 179(D), Expected = 176.10, Std = 1.8900, ChiSquare = 1.2493e-01 W53 CA = 59.2(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.7394e-01 W53 H = 7.92(D), Expected = 8.35, Std = 0.8400, ChiSquare = 6.0872e-01 W53 N = 120.1(D), Expected = 121.87, Std = 4.5800, ChiSquare = 6.9915e-01 S54 C = 175.9(D), Expected = 174.53, Std = 1.7300, ChiSquare = 4.2841e-01 S54 CA = 61.7(D), Expected = 58.57, Std = 2.1200, ChiSquare = 1.3983e-01 S54 H = 7.97(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.0576e-01 S54 N = 116.7(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.1934e-01 V55 C = 177.9(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.7630e-01 V55 CA = 65.2(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.7093e-01 V55 H = 7.83(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.1706e-01 V55 N = 122(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.4337e-01 E56 C = 178.1(D), Expected = 176.93, Std = 2.1100, ChiSquare = 5.7924e-01 E56 CA = 57.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.2651e-01 E56 H = 8.12(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.1836e-01 E56 N = 119.9(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.3214e-01 T57 C = 175.5(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.1707e-01 T57 CA = 64(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.9641e-01 T57 H = 7.73(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.8377e-01 T57 N = 113.7(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.9208e-01 A58 C = 178.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.4813e-01 A58 CA = 53.8(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.5604e-01 A58 H = 7.77(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7358e-01 A58 N = 124.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.1118e-01 T59 C = 175.3(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.9736e-01 T59 CA = 62.8(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.1113e-01 T59 H = 7.71(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.6641e-01 T59 N = 109.4(D), Expected = 115.70, Std = 5.0500, ChiSquare = 2.1220e-01 T60 C = 175.2(D), Expected = 174.60, Std = 1.8000, ChiSquare = 7.3888e-01 T60 CA = 62.8(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.1113e-01 T60 H = 7.69(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.4954e-01 T60 N = 115(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.8976e-01 V61 C = 176.4(D), Expected = 175.69, Std = 2.0300, ChiSquare = 7.2652e-01 V61 CA = 62.8(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.1617e-01 V61 H = 7.69(D), Expected = 8.29, Std = 0.7100, ChiSquare = 3.9807e-01 V61 N = 120.8(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.6462e-01 G62 C = 174(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.8355e-01 G62 CA = 45(D), Expected = 45.33, Std = 1.4200, ChiSquare = 8.1623e-01 G62 H = 7.84(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.9925e-01 G62 N = 110.1(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.6467e-01 Y63 C = 176.5(D), Expected = 175.39, Std = 1.8900, ChiSquare = 5.5700e-01 Y63 CA = 58.2(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.4564e-01 Y63 H = 7.76(D), Expected = 8.37, Std = 0.7500, ChiSquare = 4.1603e-01 Y63 N = 119.9(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.4949e-01 G64 C = 174.3(D), Expected = 174.04, Std = 1.9400, ChiSquare = 8.9339e-01 G64 CA = 45.7(D), Expected = 45.33, Std = 1.4200, ChiSquare = 7.9443e-01 G64 H = 8.09(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.3549e-01 G64 N = 109.4(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.0537e-01 D65 C = 174.8(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.6303e-01 D65 CA = 53.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.9892e-01 D65 H = 7.87(D), Expected = 8.33, Std = 0.5700, ChiSquare = 4.1966e-01 D65 N = 118.3(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.6288e-01 L66 C = 176.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 7.1256e-01 L66 CA = 55(D), Expected = 55.65, Std = 2.2100, ChiSquare = 7.6867e-01 L66 H = 7.76(D), Expected = 8.22, Std = 0.6500, ChiSquare = 4.7914e-01 L66 N = 120.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.9073e-01 Y67 C = 174.4(D), Expected = 175.39, Std = 1.8900, ChiSquare = 6.0041e-01 Y67 CA = 59.1(D), Expected = 58.02, Std = 2.6400, ChiSquare = 6.8247e-01 Y67 H = 7.69(D), Expected = 8.37, Std = 0.7500, ChiSquare = 3.6458e-01 Y67 N = 120.1(D), Expected = 120.79, Std = 4.6900, ChiSquare = 8.8304e-01 P68 C = 176.8(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.5282e-01 P68 CA = 63.4(D), Expected = 63.30, Std = 1.6400, ChiSquare = 9.5138e-01 V69 C = 177(D), Expected = 175.69, Std = 2.0300, ChiSquare = 5.1872e-01 V69 CA = 63.4(D), Expected = 62.48, Std = 3.0400, ChiSquare = 7.6217e-01 V69 H = 7.75(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.4692e-01 V69 N = 118.3(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.8343e-01 T70 C = 175.7(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.4113e-01 T70 CA = 62.9(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.8275e-01 T70 H = 7.65(D), Expected = 8.27, Std = 0.6200, ChiSquare = 3.1731e-01 T70 N = 114.4(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.9685e-01 L71 C = 177.4(D), Expected = 176.97, Std = 2.0900, ChiSquare = 8.3699e-01 L71 CA = 57.3(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.5530e-01 L71 H = 7.88(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.0092e-01 L71 N = 123.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.6436e-01 W72 C = 177.6(D), Expected = 176.10, Std = 1.8900, ChiSquare = 4.2740e-01 W72 CA = 59.3(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.4851e-01 W72 H = 7.7(D), Expected = 8.35, Std = 0.8400, ChiSquare = 4.3904e-01 W72 N = 118.3(D), Expected = 121.87, Std = 4.5800, ChiSquare = 4.3570e-01 G73 Typing: Mistyped G73 C = 176(D), Expected = 174.04, Std = 1.9400, ChiSquare = 3.1235e-01 G73 CA = 106(M), Expected = 45.33, Std = 1.4200, ChiSquare = 0.0000e+00 G73 H = 7.94(D), Expected = 8.34, Std = 0.7400, ChiSquare = 5.8882e-01 G73 N = 46.8(M), Expected = 109.91, Std = 4.2900, ChiSquare = 5.4828e-49 R74 C = 177.6(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.0733e-01 R74 CA = 58.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 5.7537e-01 R74 H = 7.69(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.5932e-01 R74 N = 120.9(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.4073e-01 L75 C = 178.5(D), Expected = 176.97, Std = 2.0900, ChiSquare = 4.6413e-01 L75 CA = 57.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.3063e-01 L75 H = 7.84(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.5881e-01 L75 N = 119.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.0931e-01 V76 C = 177.1(D), Expected = 175.69, Std = 2.0300, ChiSquare = 4.8732e-01 V76 CA = 66.4(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.9723e-01 V76 H = 8.04(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.2475e-01 V76 N = 118.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.5606e-01 A77 C = 179.9(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.3540e-01 A77 CA = 54.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.9830e-01 A77 H = 7.56(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8612e-01 A77 N = 119.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.6812e-01 V78 C = 177.4(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.9958e-01 V78 CA = 66.2(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.2107e-01 V78 H = 7.73(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.3027e-01 V78 N = 117.3(D), Expected = 121.02, Std = 4.9600, ChiSquare = 4.5325e-01 V79 C = 177.6(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.4676e-01 V79 CA = 66.9(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.4596e-01 V79 H = 7.97(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.5220e-01 V79 N = 120.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.6869e-01 V80 C = 178.4(D), Expected = 175.69, Std = 2.0300, ChiSquare = 1.8188e-01 V80 CA = 66.2(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.2107e-01 V80 H = 8.24(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.4386e-01 V80 N = 118.4(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.9734e-01 M81 C = 178.8(D), Expected = 176.30, Std = 2.1300, ChiSquare = 2.4051e-01 M81 CA = 58.6(D), Expected = 56.16, Std = 2.3400, ChiSquare = 2.9707e-01 M81 H = 7.86(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.0499e-01 M81 N = 119.7(D), Expected = 120.10, Std = 3.8800, ChiSquare = 9.1789e-01 V82 C = 178.2(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.1629e-01 V82 CA = 65.8(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.7479e-01 V82 H = 8.37(D), Expected = 8.29, Std = 0.7100, ChiSquare = 9.1029e-01 V82 N = 118.9(D), Expected = 121.02, Std = 4.9600, ChiSquare = 6.6907e-01 A83 CA = 54.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.4817e-01 A83 H = 8.51(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0539e-01 A83 N = 123.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.9353e-01 G84 C = 173.9(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.4247e-01 I85 C = 177(D), Expected = 175.82, Std = 1.9500, ChiSquare = 5.4509e-01 I85 CA = 61(D), Expected = 61.59, Std = 2.7800, ChiSquare = 8.3193e-01 I85 H = 7.62(D), Expected = 8.26, Std = 0.7100, ChiSquare = 3.6737e-01 I85 N = 119.6(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.7176e-01 T86 C = 175.4(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.5672e-01 T86 CA = 63.6(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.9397e-01 T86 H = 7.87(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.1882e-01 T86 N = 114.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.2757e-01 S87 C = 175(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.8587e-01 S87 CA = 59.5(D), Expected = 58.57, Std = 2.1200, ChiSquare = 6.6089e-01 S87 H = 7.93(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.6148e-01 S87 N = 116.7(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.1934e-01 F88 C = 177.8(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.7814e-01 F88 CA = 60(D), Expected = 58.25, Std = 2.7300, ChiSquare = 5.2151e-01 F88 H = 8.2(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.6624e-01 F88 N = 121.9(D), Expected = 120.69, Std = 4.1800, ChiSquare = 7.7222e-01 G89 C = 175.2(D), Expected = 174.04, Std = 1.9400, ChiSquare = 5.4988e-01 G89 CA = 46.6(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.7113e-01 G89 H = 8.39(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.4613e-01 G89 N = 109.2(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.6855e-01 L90 C = 178.9(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.5578e-01 L90 CA = 57.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 5.1175e-01 L90 H = 7.86(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.7968e-01 L90 N = 121.7(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.4515e-01 V91 C = 177.6(D), Expected = 175.69, Std = 2.0300, ChiSquare = 3.4676e-01 V91 CA = 66(D), Expected = 62.48, Std = 3.0400, ChiSquare = 2.4691e-01 V91 H = 7.83(D), Expected = 8.29, Std = 0.7100, ChiSquare = 5.1706e-01 V91 N = 118.4(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.9734e-01 T92 C = 176.5(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.9117e-01 T92 CA = 66.1(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.4644e-01 T92 H = 7.93(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.8343e-01 T92 N = 113.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.7753e-01 A93 C = 180.3(D), Expected = 177.80, Std = 2.1800, ChiSquare = 2.5147e-01 A93 CA = 54.8(D), Expected = 53.16, Std = 2.0600, ChiSquare = 4.2596e-01 A93 H = 7.82(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2652e-01 A93 N = 123.4(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.6335e-01 A94 C = 179.9(D), Expected = 177.80, Std = 2.1800, ChiSquare = 3.3540e-01 A94 CA = 55.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.4632e-01 A94 H = 7.93(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5271e-01 A94 N = 122.3(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.0154e-01 L95 C = 178.8(D), Expected = 176.97, Std = 2.0900, ChiSquare = 3.8125e-01 L95 CA = 57.7(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.5361e-01 L95 H = 8.23(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.8773e-01 L95 N = 118.8(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.3461e-01 A96 C = 179.5(D), Expected = 177.80, Std = 2.1800, ChiSquare = 4.3550e-01 A96 CA = 55.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 3.2203e-01 A96 H = 8.39(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 A96 N = 121(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.4671e-01 T97 C = 176.8(D), Expected = 174.60, Std = 1.8000, ChiSquare = 2.2162e-01 T97 CA = 66.1(D), Expected = 62.15, Std = 2.7200, ChiSquare = 1.4644e-01 T97 H = 7.93(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.8343e-01 T97 N = 113.4(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.4879e-01 W98 C = 178(D), Expected = 176.10, Std = 1.8900, ChiSquare = 3.1476e-01 W98 CA = 60.9(D), Expected = 57.71, Std = 2.6500, ChiSquare = 2.2868e-01 W98 H = 8.16(D), Expected = 8.35, Std = 0.8400, ChiSquare = 8.2105e-01 W98 N = 123.9(D), Expected = 121.87, Std = 4.5800, ChiSquare = 6.5760e-01 F99 C = 177.7(D), Expected = 175.49, Std = 2.1300, ChiSquare = 2.9948e-01 F99 CA = 61.1(D), Expected = 58.25, Std = 2.7300, ChiSquare = 2.9651e-01 F99 H = 8.6(D), Expected = 8.42, Std = 0.7400, ChiSquare = 8.0782e-01 F99 N = 118.7(D), Expected = 120.69, Std = 4.1800, ChiSquare = 6.3402e-01 V100 C = 178.2(D), Expected = 175.69, Std = 2.0300, ChiSquare = 2.1629e-01 V100 CA = 65.1(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.8877e-01 V100 H = 8.19(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.8799e-01 V100 N = 118.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.6966e-01 G101 C = 175.6(D), Expected = 174.04, Std = 1.9400, ChiSquare = 4.2133e-01 G101 CA = 46(D), Expected = 45.33, Std = 1.4200, ChiSquare = 6.3705e-01 G101 H = 7.77(D), Expected = 8.34, Std = 0.7400, ChiSquare = 4.4114e-01 G101 N = 108.5(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.4240e-01 R102 C = 177.2(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.4238e-01 R102 CA = 56.5(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.5188e-01 R102 H = 7.47(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.9938e-01 R102 N = 120.7(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.8159e-01 E103 C = 177(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.7353e-01 E103 CA = 56.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.1231e-01 E103 H = 7.93(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.0150e-01 E103 N = 119.9(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.3214e-01 Q104 C = 176.3(D), Expected = 176.39, Std = 1.9600, ChiSquare = 9.6338e-01 Q104 CA = 56.8(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.3449e-01 Q104 H = 7.91(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.1707e-01 Q104 N = 119(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.1854e-01 E105 C = 176.6(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.7572e-01 E105 CA = 57(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.4791e-01 E105 H = 7.81(D), Expected = 8.34, Std = 0.6100, ChiSquare = 3.8493e-01 E105 N = 120.3(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.1776e-01 R106 C = 176.9(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.4945e-01 R106 CA = 57(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.8345e-01 R106 H = 7.92(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.9380e-01 R106 N = 120.3(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.3665e-01 R107 C = 176.9(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.4945e-01 R107 CA = 56.5(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.5188e-01 R107 H = 7.89(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.5967e-01 R107 N = 120.4(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.5706e-01 G108 C = 174.1(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.7533e-01 G108 CA = 45.2(D), Expected = 45.33, Std = 1.4200, ChiSquare = 9.2706e-01 G108 H = 7.99(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.3623e-01 G108 N = 108.7(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.7790e-01 H109 C = 174.5(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.4713e-01 H109 CA = 55.5(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.1698e-01 H109 H = 7.95(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.8518e-01 H109 N = 117.3(D), Expected = 119.44, Std = 4.5200, ChiSquare = 6.3589e-01 F110 C = 176.2(D), Expected = 175.49, Std = 2.1300, ChiSquare = 7.3888e-01 F110 CA = 58.8(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.4033e-01 F110 H = 8.06(D), Expected = 8.42, Std = 0.7400, ChiSquare = 6.2662e-01 F110 N = 120.5(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.6375e-01 V111 C = 176.3(D), Expected = 175.69, Std = 2.0300, ChiSquare = 7.6380e-01 V111 CA = 63(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.6418e-01 V111 H = 7.73(D), Expected = 8.29, Std = 0.7100, ChiSquare = 4.3027e-01 V111 N = 120.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.5285e-01 R112 C = 177(D), Expected = 176.49, Std = 2.1600, ChiSquare = 8.1335e-01 R112 CA = 56.8(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.5037e-01 R112 H = 7.85(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.1569e-01 R112 N = 121.5(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.1949e-01 H113 C = 175.1(D), Expected = 175.19, Std = 2.1400, ChiSquare = 9.6645e-01 H113 CA = 55.9(D), Expected = 56.37, Std = 2.4000, ChiSquare = 8.4474e-01 H113 H = 8.11(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.4994e-01 H113 N = 117.7(D), Expected = 119.44, Std = 4.5200, ChiSquare = 7.0027e-01 S114 C = 175(D), Expected = 174.53, Std = 1.7300, ChiSquare = 7.8587e-01 S114 CA = 59.1(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.0259e-01 S114 H = 8.01(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.5155e-01 S114 N = 115.9(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.1934e-01 E115 CA = 57.2(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.1998e-01 E115 H = 8.13(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.3065e-01 E115 N = 122(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.1982e-01 K116 C = 177.8(D), Expected = 176.46, Std = 2.0500, ChiSquare = 5.1333e-01 K116 CA = 57.6(D), Expected = 56.84, Std = 2.2500, ChiSquare = 7.3553e-01 A117 C = 179(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.8200e-01 A117 CA = 53.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.1943e-01 A117 H = 7.91(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2886e-01 A117 N = 122.7(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.8610e-01 A118 C = 178.7(D), Expected = 177.80, Std = 2.1800, ChiSquare = 6.7972e-01 A118 CA = 53.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.1943e-01 A118 H = 7.92(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4074e-01 A118 N = 120.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 4.7720e-01 E119 C = 177.6(D), Expected = 176.93, Std = 2.1100, ChiSquare = 7.5084e-01 E119 CA = 57.8(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.6225e-01 E119 H = 7.94(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.1199e-01 E119 N = 117.2(D), Expected = 120.68, Std = 3.6800, ChiSquare = 3.4433e-01 E120 C = 177.4(D), Expected = 176.93, Std = 2.1100, ChiSquare = 8.2373e-01 E120 CA = 57.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 8.8383e-01 E120 H = 7.85(D), Expected = 8.34, Std = 0.6100, ChiSquare = 4.2181e-01 E120 N = 119.4(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.2797e-01 A121 C = 179(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.8200e-01 A121 CA = 54(D), Expected = 53.16, Std = 2.0600, ChiSquare = 6.8344e-01 A121 H = 8.09(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5454e-01 A121 N = 122.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.0748e-01 Y122 C = 177.1(D), Expected = 175.39, Std = 1.8900, ChiSquare = 3.6559e-01 Y122 CA = 59.8(D), Expected = 58.02, Std = 2.6400, ChiSquare = 5.0016e-01 Y122 H = 8.15(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.6927e-01 Y122 N = 119.3(D), Expected = 120.79, Std = 4.6900, ChiSquare = 7.5071e-01 T123 C = 175.6(D), Expected = 174.60, Std = 1.8000, ChiSquare = 5.7851e-01 T123 CA = 63.9(D), Expected = 62.15, Std = 2.7200, ChiSquare = 5.1998e-01 T123 H = 7.98(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.3997e-01 T123 N = 114.9(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.7413e-01 R124 C = 177.6(D), Expected = 176.49, Std = 2.1600, ChiSquare = 6.0733e-01 R124 CA = 57.2(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.1738e-01 R124 H = 7.93(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.0539e-01 R124 N = 121.8(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.6027e-01 T125 C = 175.5(D), Expected = 174.60, Std = 1.8000, ChiSquare = 6.1707e-01 T125 CA = 64.1(D), Expected = 62.15, Std = 2.7200, ChiSquare = 4.7343e-01 T125 H = 7.86(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.0843e-01 T125 N = 114.7(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.4303e-01 T126 C = 176.1(D), Expected = 174.60, Std = 1.8000, ChiSquare = 4.0466e-01 T126 CA = 63.4(D), Expected = 62.15, Std = 2.7200, ChiSquare = 6.4583e-01 T126 H = 7.9(D), Expected = 8.27, Std = 0.6200, ChiSquare = 5.5066e-01 T126 N = 114.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.2757e-01 R127 C = 177.2(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.4238e-01 R127 CA = 57.2(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.1738e-01 R127 H = 7.82(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.8393e-01 R127 N = 122.6(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.0987e-01 A128 C = 179(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.8200e-01 A128 CA = 53.2(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.8451e-01 A128 H = 7.85(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5967e-01 A128 N = 123.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.9353e-01 L129 C = 178.2(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.5619e-01 L129 CA = 56.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 6.0281e-01 L129 H = 7.92(D), Expected = 8.22, Std = 0.6500, ChiSquare = 6.4441e-01 L129 N = 119(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.6405e-01 H130 C = 175.9(D), Expected = 175.19, Std = 2.1400, ChiSquare = 7.4006e-01 H130 CA = 57.2(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.2947e-01 H130 H = 8.11(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.4994e-01 H130 N = 116.8(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.5917e-01 E131 C = 177.9(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.4572e-01 E131 CA = 57.3(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.5630e-01 E131 H = 8(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.7727e-01 E131 N = 118.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.9055e-01 R132 C = 177.3(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.0766e-01 R132 CA = 57.5(D), Expected = 56.95, Std = 2.4100, ChiSquare = 8.1948e-01 R132 H = 7.79(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.5325e-01 R132 N = 119(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.7974e-01 F133 C = 176.7(D), Expected = 175.49, Std = 2.1300, ChiSquare = 5.6998e-01 F133 CA = 59.2(D), Expected = 58.25, Std = 2.7300, ChiSquare = 7.2785e-01 F133 H = 8.01(D), Expected = 8.42, Std = 0.7400, ChiSquare = 5.7954e-01 F133 N = 118.5(D), Expected = 120.69, Std = 4.1800, ChiSquare = 6.0033e-01 D134 C = 177.5(D), Expected = 176.41, Std = 1.7700, ChiSquare = 5.3801e-01 D134 CA = 55.7(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.7418e-01 D134 H = 8.09(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.7372e-01 D134 N = 118.5(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.9545e-01 R135 C = 178.2(D), Expected = 176.49, Std = 2.1600, ChiSquare = 4.2856e-01 R135 CA = 58.6(D), Expected = 56.95, Std = 2.4100, ChiSquare = 4.9357e-01 R135 H = 7.87(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.3745e-01 R135 N = 119.8(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.3547e-01 L136 C = 178.3(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.2454e-01 L136 CA = 57.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 4.8308e-01 L136 H = 7.66(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.8894e-01 L136 N = 120.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.6186e-01 E137 C = 177.8(D), Expected = 176.93, Std = 2.1100, ChiSquare = 6.8010e-01 E137 CA = 58.7(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.5890e-01 E137 H = 8.08(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.6994e-01 E137 N = 117.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 4.1807e-01 R138 C = 178.1(D), Expected = 176.49, Std = 2.1600, ChiSquare = 4.5605e-01 R138 CA = 58.1(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.3323e-01 R138 H = 7.62(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.0145e-01 R138 N = 118.3(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.5364e-01 M139 C = 177.5(D), Expected = 176.30, Std = 2.1300, ChiSquare = 5.7318e-01 M139 CA = 57.8(D), Expected = 56.16, Std = 2.3400, ChiSquare = 4.8339e-01 M139 H = 7.69(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.4211e-01 M139 N = 118.8(D), Expected = 120.10, Std = 3.8800, ChiSquare = 7.3759e-01 L140 C = 178.1(D), Expected = 176.97, Std = 2.0900, ChiSquare = 5.8874e-01 L140 CA = 56.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.0346e-01 L140 H = 7.8(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.1818e-01 L140 N = 119.3(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.1023e-01 D141 C = 176.3(D), Expected = 176.41, Std = 1.7700, ChiSquare = 9.5045e-01 D141 CA = 54.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.4148e-01 D141 H = 8.03(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.9867e-01 D141 N = 117.4(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.2786e-01 D142 C = 177.1(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.9666e-01 D142 CA = 53.9(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.6781e-01 D142 H = 8.02(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.8654e-01 D142 N = 118.1(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.3119e-01 N143 C = 174.8(D), Expected = 175.16, Std = 1.7600, ChiSquare = 8.3793e-01 N143 CA = 53.8(D), Expected = 53.43, Std = 1.9400, ChiSquare = 8.4874e-01 N143 H = 7.92(D), Expected = 8.37, Std = 0.6500, ChiSquare = 4.8874e-01 N143 N = 118.4(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.6882e-01 R144 C = 175.8(D), Expected = 176.49, Std = 2.1600, ChiSquare = 7.4939e-01 R144 CA = 56.2(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.5565e-01 R144 H = 7.77(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.3343e-01 R144 N = 119.7(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.1550e-01 R145 CA = 56.9(D), Expected = 56.95, Std = 2.4100, ChiSquare = 9.8345e-01 R145 H = 7.64(D), Expected = 8.24, Std = 0.6000, ChiSquare = 3.1731e-01 R145 N = 125.8(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.8326e-01