M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.16 Q 0.15 K 0.13 C 0.12 W 0.11 R 0.11 E 0.1 M 0.05 L 0.02 C Shift Assignments>> C :: 175.96 CA :: 55.06 CB :: 29.36 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.37 HB2 :: 1.97 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) S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> I34 C Shift Assignments>> C :: 175.50 CA :: 56.95 CB :: 62.24 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.65 HA :: 4.41 HB2 :: 3.86 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 :: 118.5 Ave N Shift Values>> N :: 116.3(3.95) K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.15 C 0.14 K 0.13 R 0.13 W 0.11 H 0.11 E 0.1 Q 0.06 V 0.02 HN Overlap>> V61 C Shift Assignments>> C :: 177.17 CA :: 56.70 CB :: 31.73 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.66 HA :: 4.13 HB2 :: 1.81 HB3 :: 1.68 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.12 E 0.12 W 0.12 C 0.11 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 175.31 CA :: 56.05 CB :: 29.74 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.20 HA :: 4.06 HB2 :: 1.72 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 :: 118.8 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.17 D 0.12 C Shift Assignments>> C :: 173.65 CA :: 51.24 CB :: 37.90 CG :: 176.98 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.03 HA :: 4.93 HB2 :: 3.06 HB3 :: 2.77 HD21 :: 7.01 HD22 :: 7.69 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.8 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 C 0.05 L 0.05 M 0.04 H 0.03 P 0.03 R 0.02 Q 0.01 K 0.01 W 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 52.16 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.71 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.34 P 0.18 C 0.17 W 0.07 K 0.04 I 0.04 R 0.03 E 0.02 M 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.77 CA :: 61.48 CB :: 32.46 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.93 HB2 :: 2.35 HB3 :: 1.87 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.52 CA :: 44.28 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.30 HA2 :: 4.13 HA3 :: 3.79 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.0 Ave N Shift Values>> N :: 109.91(4.29) K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.23 Q 0.15 K 0.12 H 0.03 E 0.03 W 0.02 R 0.02 N 0.02 P 0.01 C Shift Assignments>> C :: 175.62 CA :: 52.75 CB :: 34.07 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.11 HA :: 5.07 HB2 :: 1.49 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 177.73 CA :: 50.92 CB :: 17.81 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.31 HA :: 5.09 HB :: 1.75 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.6 Ave N Shift Values>> N :: 123.23(3.7) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.54 CA :: 58.61 CB :: 70.86 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.41 HA :: 4.69 HB :: 4.30 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 Ave N Shift Values>> N :: 115.7(5.05) G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 F 0.04 G 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.30 CA :: 43.11 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.62 HA2 :: 4.47 HA3 :: 3.84 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 Ave N Shift Values>> N :: 109.91(4.29) K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 C 0.2 M 0.18 K 0.17 E 0.07 W 0.04 H 0.03 R 0.03 V 0.02 Y 0.01 C Shift Assignments>> C :: 178.63(D) CA :: 56.40(D) CB :: 33.95(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 :: 9.32 HA :: 4.10 HB2 :: 1.89 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 173.54 CA :: 43.54(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.05(D) HA2 :: 3.84(D) HA3 :: 3.61(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.7(D) Ave N Shift Values>> N :: 109.91(4.29) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.27 P 0.2 N 0.2 D 0.09 C 0.05 L 0.03 M 0.02 H 0.02 R 0.01 W 0.01 Q 0.01 K 0.01 HN Overlap>> S80 C Shift Assignments>> CA :: 51.37 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.14 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.21 C 0.15 V 0.14 W 0.13 P 0.1 E 0.06 R 0.06 H 0.03 K 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.92(D) CA :: 61.47(D) CB :: 30.06(D) Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.66(D) HB2 :: 2.25(D) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Q 0.17 K 0.16 M 0.14 E 0.09 V 0.05 W 0.04 R 0.03 H 0.02 Y 0.01 C Shift Assignments>> C :: 175.71(D) CA :: 57.94(D) CB :: 34.09 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 :: 8.59(D) HA :: 4.70(D) HB :: 2.46(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) G19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 K 0.18 R 0.15 D 0.1 F 0.07 C 0.07 Y 0.04 I 0.02 N 0.01 G 0.01 C Shift Assignments>> C :: 174.21(D) CA :: 42.32(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.40(D) HA2 :: 4.52(D) HA3 :: 3.85(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.9(D) Ave N Shift Values>> N :: 109.91(4.29) D20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 C 0.14 N 0.13 F 0.13 L 0.13 Y 0.12 K 0.05 I 0.01 C Shift Assignments>> C :: 178.03(D) CA :: 54.98(D) CB :: 40.19(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 :: 8.32(D) HA :: 4.46(D) HB2 :: 2.89(D) HB3 :: 2.77 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 :: 116.0(D) Ave N Shift Values>> N :: 120.73(4.2) K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 Q 0.15 C 0.14 R 0.13 W 0.12 E 0.1 M 0.07 K 0.03 L 0.01 HN Overlap>> V113 C Shift Assignments>> C :: 178.38(D) CA :: 54.61(D) CB :: 29.69(D) Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.43(D) HA :: 4.64(D) HB2 :: 1.66(D) HB3 :: 1.66 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.6(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) W22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.12 F 0.11 Y 0.1 C 0.09 W 0.09 E 0.06 I 0.06 R 0.05 K 0.04 V 0.04 T 0.04 Q 0.03 H 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 176.87(D) CA :: 59.14(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 :: 7.71(D) HA :: 4.35(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 :: 121.8(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 N 0.2 Y 0.17 F 0.11 E 0.1 D 0.07 M 0.02 I 0.02 L 0.01 C Shift Assignments>> C :: 180.50(D) CA :: 55.25(D) CB :: 37.88(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 :: 7.55(D) HA :: 3.34(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 :: 119.1(D) Ave N Shift Values>> N :: 121.98(4.07) D24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.22 C 0.21 F 0.18 D 0.11 N 0.1 E 0.04 I 0.04 L 0.04 C Shift Assignments>> CA :: 56.16(D) CB :: 38.75(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 :: 8.29(D) HA :: 4.29(D) HB2 :: 2.91(D) HB3 :: 2.63(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 :: 123.4(D) Ave N Shift Values>> N :: 120.73(4.2) D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 C 0.2 Y 0.16 D 0.14 F 0.13 L 0.04 E 0.03 I 0.01 M 0.01 HN Overlap>> K28 Q109 C Shift Assignments>> C :: 177.22(D) CA :: 55.01(D) CB :: 38.64(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 :: 7.56(D) HA :: 4.37(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.8(D) Ave N Shift Values>> N :: 120.73(4.2) A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.23 D 0.13 L 0.06 C 0.05 M 0.04 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 :: 176.97(D) CA :: 52.73(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.53(D) HA :: 4.60(D) HB :: 1.48(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.0(D) Ave N Shift Values>> N :: 123.23(3.7) G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.14(D) CA :: 43.14(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.38(D) HA2 :: 4.51(D) HA3 :: 3.62(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.9(D) Ave N Shift Values>> N :: 109.91(4.29) K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 M 0.19 N 0.11 E 0.09 K 0.08 Q 0.08 Y 0.02 H 0.01 W 0.01 HN Overlap>> D25 C Shift Assignments>> C :: 173.66(D) CA :: 53.15(D) CB :: 35.24(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 :: 7.60(D) HA :: 4.62(D) HB2 :: 1.76(D) HB3 :: 1.76 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.8(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.2 C 0.19 D 0.17 Y 0.16 F 0.14 L 0.05 E 0.02 I 0.02 HN Overlap>> H102 C Shift Assignments>> C :: 176.12(D) CA :: 55.13(D) CB :: 38.98(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 :: 8.91(D) HA :: 4.16(D) HB2 :: 2.85(D) HB3 :: 2.85(D) Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.3(D) Ave N Shift Values>> N :: 120.73(4.2) S30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.06 CA :: 56.80(D) CB :: 62.33 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.30(D) HA :: 4.53 HB2 :: 3.91 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 :: 117.6(D) Ave N Shift Values>> N :: 116.3(3.95) G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.28 K 0.08 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.85(D) CA :: 43.00(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.39(D) HA2 :: 4.33(D) HA3 :: 4.33(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.3(D) Ave N Shift Values>> N :: 109.91(4.29) A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 C 0.25 P 0.06 A 0.04 L 0.02 N 0.01 C Shift Assignments>> CA :: 47.63(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.36(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 123.23(3.7) P33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.63 HB2 :: 2.26 HB3 :: 1.90 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) I34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> S3 H Shift Assignments>> H :: 8.61 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 121.6(4.72) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.21 C 0.18 W 0.12 R 0.08 E 0.07 K 0.06 P 0.06 I 0.05 M 0.05 H 0.04 Q 0.02 C Shift Assignments>> C :: 177.47 CA :: 60.48 CB :: 31.8 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.64 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 N 0.18 E 0.17 Y 0.13 F 0.07 M 0.06 D 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 178.14(D) CA :: 55.06(D) CB :: 37.07(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 :: 8.58(D) HA :: 4.39(D) HB2 :: 2.73(D) HB3 :: 2.11(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 :: 130.0(D) Ave N Shift Values>> N :: 120.73(4.2) R37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.12 Q 0.1 K 0.07 M 0.06 I 0.02 V 0.02 C Shift Assignments>> C :: 178.63(D) CA :: 57.62(D) CB :: 30.43(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 :: 8.24(D) HA :: 4.01(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 :: 118.6(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) I38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.25 K 0.08 Q 0.07 E 0.07 M 0.05 W 0.04 I 0.04 P 0.03 Y 0.02 R 0.01 H 0.01 C Shift Assignments>> C :: 177.32(D) CA :: 60.60(D) CB :: 34.17 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 :: 6.94(D) HA :: 3.64(D) HB :: 1.93 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 :: 116.3(D) Ave N Shift Values>> N :: 121.6(4.72) A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.77 A 0.18 I 0.02 C 0.01 C Shift Assignments>> C :: 179.24(D) CA :: 53.82(D) CB :: 15.12 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.08(D) HA :: 3.92(D) HB :: 1.09(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.8(D) Ave N Shift Values>> N :: 123.23(3.7) D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.18 C 0.18 D 0.17 F 0.17 N 0.13 L 0.07 I 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 178.23 CA :: 55.63(D) CB :: 39.35 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 :: 8.30(D) HA :: 4.25 HB2 :: 2.59 HB3 :: 2.59 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.0(D) Ave N Shift Values>> N :: 120.73(4.2) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 C 0.15 K 0.14 R 0.12 H 0.11 W 0.1 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 177.72 CA :: 55.67 CB :: 31.95 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 :: 7.11 HA :: 4.14 HB2 :: 1.91 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.22 K 0.13 C 0.1 N 0.08 R 0.06 F 0.06 Y 0.04 HN Overlap>> H131 C Shift Assignments>> C :: 176.02 CA :: 53.70(D) CB :: 41.72 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 :: 7.50(D) HA :: 4.40 HB2 :: 1.61 HB3 :: 1.61 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.2(D) Ave N Shift Values>> N :: 121.98(4.07) R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 C 0.13 W 0.12 H 0.1 E 0.1 I 0.08 L 0.07 R 0.05 M 0.01 C Shift Assignments>> C :: 176.37 CA :: 57.95 CB :: 27.91 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 HA :: 3.48 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 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Y 0.21 F 0.15 N 0.13 D 0.09 E 0.07 I 0.03 L 0.03 M 0.01 C Shift Assignments>> C :: 174.75 CA :: 55.90 CB :: 38.36 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 :: 9.08 HA :: 4.18 HB2 :: 3.12 HB3 :: 2.83 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 :: 118.7 Ave N Shift Values>> N :: 120.73(4.2) K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 C 0.15 K 0.13 R 0.13 H 0.13 W 0.1 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 174.41 CA :: 55.13 CB :: 31.73 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.08 HA :: 4.17 HB2 :: 1.99 HB3 :: 1.36 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.17 R 0.14 Q 0.11 W 0.11 M 0.11 E 0.08 K 0.06 C Shift Assignments>> C :: 175.21 CA :: 53.66 CB :: 30.43 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 :: 7.95 HA :: 4.51 HB2 :: 1.75 HB3 :: 1.61 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 :: 120.2 Ave N Shift Values>> N :: 120.68(3.68) F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.18 K 0.18 D 0.1 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 175.17 CA :: 56.08 CB :: 42.41 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 :: 8.59 HA :: 4.68 HB2 :: 3.22 HB3 :: 2.26 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 120.69(4.18) K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 K 0.15 R 0.12 H 0.1 W 0.1 E 0.08 Q 0.05 V 0.02 C Shift Assignments>> C :: 174.96 CA :: 56.44 CB :: 32.02 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.52 HA :: 4.06 HB2 :: 1.91 HB3 :: 1.91 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.56 CA :: 56.41 CB :: 64.45 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.69 HA :: 4.55 HB2 :: 4.05 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 :: 108.9 Ave N Shift Values>> N :: 116.3(3.95) F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.2 Y 0.19 F 0.15 E 0.04 C Shift Assignments>> C :: 176.93 CA :: 60.97 CB :: 37.98 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.30 HA :: 4.43 HB2 :: 3.06 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 120.69(4.18) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.21 C 0.18 D 0.14 L 0.08 N 0.07 I 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 178.18 CA :: 56.43 CB :: 39.58 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 :: 8.36 HA :: 4.43 HB2 :: 2.69 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 Ave N Shift Values>> N :: 120.73(4.2) D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.16 F 0.15 K 0.14 Y 0.13 C 0.13 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 178.28 CA :: 56.16 CB :: 40.88 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 :: 7.85 HA :: 4.53 HB2 :: 3.11 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 :: 121.0 Ave N Shift Values>> N :: 120.73(4.2) F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 I 0.22 Y 0.21 F 0.14 E 0.12 M 0.01 C Shift Assignments>> C :: 174.36 CA :: 59.58 CB :: 37.52 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.52 HA :: 3.28 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.9 Ave N Shift Values>> N :: 120.69(4.18) R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 E 0.13 Q 0.12 C 0.12 H 0.11 R 0.09 I 0.06 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 175.97 CA :: 58.15 CB :: 29.07 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.27 HA :: 3.03 HB2 :: 1.97 HB3 :: 1.53 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 :: 120.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 M 0.15 R 0.09 Q 0.09 W 0.09 H 0.07 E 0.07 V 0.04 C Shift Assignments>> C :: 177.83 CA :: 57.34 CB :: 32.57 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 :: 7.35 HA :: 4.61 HB2 :: 1.99 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.01 C Shift Assignments>> C :: 179.79 CA :: 53.39 CB :: 17.62 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.16 HA :: 4.14 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 123.23(3.7) V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 V 0.23 P 0.21 C 0.07 W 0.02 C Shift Assignments>> C :: 177.48 CA :: 65.32 CB :: 29.44 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 :: 7.64 HA :: 2.80 HB :: 1.37 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 :: 118.5 Ave N Shift Values>> N :: 121.02(4.96) W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 K 0.12 C 0.12 Q 0.12 W 0.11 I 0.09 H 0.08 E 0.08 L 0.06 C Shift Assignments>> C :: 178.44 CA :: 58.30 CB :: 27.84 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 :: 7.40 HA :: 4.73 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 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 W 0.13 Q 0.12 C 0.12 R 0.12 E 0.11 H 0.1 I 0.08 L 0.03 M 0.01 C Shift Assignments>> C :: 181.10(D) CA :: 58.38(D) CB :: 28.46(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 :: 8.70(D) HA :: 4.13(D) HB2 :: 2.15 HB3 :: 1.92 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 120.68(3.68) E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.1 E 0.1 W 0.09 Y 0.08 R 0.08 F 0.08 K 0.08 Q 0.07 H 0.06 S 0.06 M 0.05 L 0.04 D 0.01 I 0.01 V 0.01 HN Overlap>> N118 C Shift Assignments>> C :: 180.49(D) CA :: 57.48(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 :: 8.32(D) HA :: 4.05 HB2 :: 2.03 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 :: 119.2(D) Ave N Shift Values>> N :: 120.68(3.68) V61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 P 0.28 I 0.18 C 0.05 W 0.01 HN Overlap>> K4 C Shift Assignments>> C :: 177.98 CA :: 66.15 CB :: 30.70 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 :: 8.63(D) HA :: 3.42 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 :: 124.1(D) Ave N Shift Values>> N :: 121.02(4.96) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.56 CA :: 60.01 CB :: 62.46 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.18 HB2 :: 3.94 HB3 :: 3.94 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 :: 113.8 Ave N Shift Values>> N :: 116.3(3.95) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.17 Q 0.14 H 0.07 R 0.07 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 175.01 CA :: 55.09 CB :: 32.91 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 :: 6.99 HA :: 4.20 HB2 :: 2.06 HB3 :: 1.66 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.71 A 0.11 N 0.06 C 0.03 D 0.02 C Shift Assignments>> CA :: 49.57(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 :: 7.68(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 :: 123.6(D) Ave N Shift Values>> N :: 120.73(4.2) P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.42 V 0.33 I 0.1 C 0.08 W 0.03 C Shift Assignments>> C :: 178.18 CA :: 63.59 CB :: 31.31 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.22 HB2 :: 2.33 HB3 :: 2.01 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 H 0.12 W 0.12 E 0.12 C 0.11 R 0.09 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 178.39 CA :: 57.17 CB :: 28.86 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 :: 7.82 HA :: 4.29 HB2 :: 1.94 HB3 :: 1.94 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 :: 115.9 Ave N Shift Values>> N :: 120.68(3.68) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.16 C 0.11 F 0.1 Y 0.08 N 0.05 R 0.04 C Shift Assignments>> C :: 179.29 CA :: 55.12 CB :: 41.31 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 :: 8.38 HA :: 4.35 HB2 :: 1.44 HB3 :: 1.44 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 :: 116.8 Ave N Shift Values>> N :: 121.98(4.07) S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.20(D) CA :: 56.87 CB :: 63.13(D) Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.00 HA :: 4.50(D) HB2 :: 4.05 HB3 :: 4.05 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 :: 110.4 Ave N Shift Values>> N :: 116.3(3.95) K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 K 0.14 W 0.12 M 0.12 R 0.1 E 0.08 V 0.08 H 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 176.93(D) CA :: 58.50(D) CB :: 32.23(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 :: 7.20(D) HA :: 4.03(D) HB2 :: 2.33(D) HB3 :: 1.93(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.7(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 C 0.18 D 0.1 Y 0.05 F 0.03 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 175.32(D) CA :: 52.19(D) CB :: 38.03(D) Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.75(D) HA :: 4.90(D) HB2 :: 3.04(D) HB3 :: 2.59(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 :: 113.8(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.21 N 0.12 C 0.11 K 0.09 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.06 CA :: 52.31(D) CB :: 41.83 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 :: 7.49(D) HA :: 4.44 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 :: 120.8(D) Ave N Shift Values>> N :: 121.98(4.07) N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.71 A 0.11 N 0.07 D 0.02 C 0.02 L 0.01 C Shift Assignments>> CA :: 50.17 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.02 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 :: 125.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 P 0.3 I 0.27 C 0.06 W 0.01 C Shift Assignments>> C :: 178.78 CA :: 65.35 CB :: 30.14 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.07 HB2 :: 2.32 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.33 CA :: 59.85 CB :: 61.90 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.97 HA :: 4.90 HB2 :: 3.49 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 :: 113.0 Ave N Shift Values>> N :: 116.3(3.95) N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.2 D 0.08 Y 0.05 F 0.03 E 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 178.94 CA :: 51.99 CB :: 37.78 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.33 HA :: 5.35 HB2 :: 3.31 HB3 :: 2.63 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 C 0.15 R 0.13 E 0.13 H 0.09 K 0.07 M 0.07 Q 0.06 V 0.06 I 0.04 C Shift Assignments>> C :: 179.74 CA :: 58.90 CB :: 31.05 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.14 HA :: 4.00 HB2 :: 1.91 HB3 :: 1.91 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 :: 120.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 T 0.17 V 0.16 F 0.07 C 0.06 Y 0.05 S 0.05 W 0.04 P 0.04 E 0.02 R 0.02 K 0.01 H 0.01 C Shift Assignments>> C :: 175.92 CA :: 61.14 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.39 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 116.3(3.95) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.18 V 0.17 F 0.06 C 0.06 P 0.05 Y 0.05 S 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 177.38 CA :: 61.31 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.21 HA :: 4.23 HB2 :: 3.92 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.9 Ave N Shift Values>> N :: 116.3(3.95) V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 P 0.17 C 0.12 V 0.09 W 0.07 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 179.74 CA :: 62.94 CB :: 28.98 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 :: 7.86 HA :: 4.87 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.6 Ave N Shift Values>> N :: 121.02(4.96) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> K16 C Shift Assignments>> C :: 175.72 CA :: 60.09 CB :: 61.85 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.08 HA :: 4.43 HB2 :: 3.97 HB3 :: 3.97 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 :: 117.3 Ave N Shift Values>> N :: 116.3(3.95) K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 C 0.15 Q 0.14 R 0.14 W 0.11 E 0.09 M 0.08 K 0.04 C Shift Assignments>> C :: 176.11 CA :: 53.98 CB :: 29.99 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 :: 7.15 HA :: 4.26 HB2 :: 1.91 HB3 :: 1.66 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.09 CA :: 44.54 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.25 HA2 :: 4.24 HA3 :: 3.74 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.8 Ave N Shift Values>> N :: 109.91(4.29) Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 C 0.3 M 0.11 Q 0.04 N 0.04 K 0.03 H 0.01 E 0.01 W 0.01 C Shift Assignments>> C :: 172.85 CA :: 50.84 CB :: 34.44 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 :: 7.35 HA :: 4.86 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 :: 120.5 Ave N Shift Values>> N :: 120.79(4.69) S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.13 A 0.12 L 0.09 M 0.07 H 0.06 C 0.06 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 :: 54.14 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 116.3(3.95) P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.12 F 0.1 S 0.1 C 0.09 Y 0.09 T 0.09 V 0.08 W 0.07 E 0.04 R 0.04 K 0.03 H 0.02 Q 0.02 M 0.02 P 0.01 C Shift Assignments>> C :: 176.37 CA :: 60.05 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.34 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 C 0.2 I 0.08 D 0.07 L 0.04 N 0.03 E 0.02 C Shift Assignments>> C :: 178.28 CA :: 57.35 CB :: 39.20 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.18 HA :: 4.15 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 :: 120.0 Ave N Shift Values>> N :: 120.69(4.18) T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.11 Y 0.1 W 0.09 C 0.09 E 0.07 R 0.06 K 0.05 Q 0.04 H 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> CA :: 58.61 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.48 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 Ave N Shift Values>> N :: 115.7(5.05) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.23 T 0.21 V 0.19 P 0.08 C 0.05 F 0.05 S 0.04 Y 0.03 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 178.28 CA :: 61.71 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.00 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.14 R 0.13 H 0.11 Q 0.09 K 0.05 M 0.05 I 0.04 V 0.03 C Shift Assignments>> C :: 178.18 CA :: 58.58 CB :: 30.44 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 :: 10.99(S) HA :: 3.62 HB2 :: 1.80 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 :: 133.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 N 0.19 M 0.15 E 0.1 K 0.06 Q 0.04 Y 0.04 F 0.01 C Shift Assignments>> C :: 175.97 CA :: 53.07 CB :: 35.71 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.83 HA :: 4.35 HB2 :: 3.05 HB3 :: 2.74 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 :: 115.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.16 C 0.16 H 0.14 R 0.13 Q 0.12 K 0.11 W 0.07 E 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 173.96 CA :: 53.05 CB :: 28.06 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 :: 7.84 HA :: 4.24 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 :: 117.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.17 D 0.15 A 0.15 L 0.08 M 0.06 H 0.06 C 0.06 Q 0.04 R 0.04 K 0.03 W 0.03 Y 0.02 F 0.02 E 0.02 C Shift Assignments>> C :: 176.32 CA :: 53.87 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 :: 7.32 HA :: 4.12 HB2 :: 1.97 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 :: 119.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 C 0.25 K 0.09 Q 0.08 M 0.06 W 0.05 E 0.04 P 0.04 R 0.02 I 0.02 H 0.01 Y 0.01 C Shift Assignments>> C :: 176.07 CA :: 60.49 CB :: 33.71 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 :: 8.17 HA :: 4.18 HB :: 1.74 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 :: 119.3 Ave N Shift Values>> N :: 121.02(4.96) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 HN Overlap>> H102 C Shift Assignments>> C :: 174.66 CA :: 45.89 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.10 HA2 :: 3.79 HA3 :: 3.67 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 109.91(4.29) G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.26 CA :: 44.55 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.65 HA2 :: 4.05 HA3 :: 3.68 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.1 Ave N Shift Values>> N :: 109.91(4.29) R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 H 0.14 R 0.13 K 0.1 W 0.1 Q 0.08 E 0.08 C Shift Assignments>> C :: 174.70 CA :: 54.50 CB :: 31.36 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.16 HA :: 4.43 HB2 :: 2.08 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.2 Q 0.13 E 0.12 K 0.12 N 0.03 Y 0.02 H 0.01 W 0.01 R 0.01 C Shift Assignments>> C :: 173.60 CA :: 54.54 CB :: 34.94 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.57 HA :: 4.28 HB2 :: 1.37 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.1 H 0.09 K 0.09 R 0.09 M 0.09 C 0.08 E 0.07 L 0.07 W 0.06 Y 0.06 F 0.05 S 0.03 D 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 176.20 CA :: 56.56 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 :: 6.78 HA :: 4.63 HB :: 1.55 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 :: 107.3 Ave N Shift Values>> N :: 121.02(4.96) Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.13 F 0.1 T 0.1 S 0.09 V 0.09 C 0.09 Y 0.09 W 0.07 E 0.04 R 0.03 K 0.03 H 0.02 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> C :: 175.00 CA :: 60.17 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 :: 7.64 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 120.79(4.69) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 K 0.12 H 0.12 R 0.1 W 0.07 Q 0.05 E 0.03 P 0.01 C Shift Assignments>> C :: 174.51 CA :: 52.99 CB :: 32.20 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 :: 8.85 HA :: 4.49 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 Ave N Shift Values>> N :: 120.68(3.68) L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 C 0.11 K 0.09 N 0.09 R 0.07 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.46 CA :: 52.49 CB :: 42.02 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 :: 8.40 HA :: 5.22 HB2 :: 1.70 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.98(4.07) H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.28 N 0.24 D 0.12 L 0.05 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.01 Y 0.01 F 0.01 P 0.01 HN Overlap>> D29 G94 C Shift Assignments>> C :: 173.05 CA :: 52.51 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 :: 9.02 HA :: 5.01 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 :: 119.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 R 0.13 H 0.13 C 0.11 L 0.09 W 0.09 E 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 175.06 CA :: 55.53 CB :: 28.22 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 :: 10.00 HA :: 5.16 HB2 :: 2.93 HB3 :: 2.93 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 :: 120.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.16 F 0.13 C 0.12 Y 0.11 K 0.11 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 175.67 CA :: 55.45 CB :: 40.74 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 :: 8.21 HA :: 4.37 HB2 :: 2.81 HB3 :: 2.39 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 :: 125.5 Ave N Shift Values>> N :: 120.73(4.2) K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.22 P 0.12 D 0.1 C 0.05 L 0.04 M 0.03 H 0.03 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.64 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.49 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.25 P 0.16 C 0.15 W 0.1 I 0.09 R 0.05 E 0.05 K 0.03 H 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.54 CA :: 61.40 CB :: 31.42 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.31 HB2 :: 2.38 HB3 :: 1.72 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.28 E 0.11 Y 0.1 V 0.09 F 0.05 M 0.01 K 0.01 C Shift Assignments>> C :: 179.29 CA :: 61.32 CB :: 36.15 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 :: 8.72 HA :: 3.97 HB :: 1.62 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 :: 125.6 Ave N Shift Values>> N :: 121.6(4.72) S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.97 CA :: 58.61 CB :: 61.63 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.53 HA :: 4.19 HB2 :: 3.91 HB3 :: 3.91 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 116.3(3.95) Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 H 0.15 L 0.13 Q 0.13 R 0.12 K 0.12 W 0.08 E 0.04 M 0.02 HN Overlap>> D25 C Shift Assignments>> C :: 175.32 CA :: 53.35 CB :: 28.22 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 :: 7.47 HA :: 4.53 HB2 :: 2.41 HB3 :: 1.62 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 :: 119.8 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.14 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 175.22 CA :: 43.69 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.84 HA2 :: 4.26 HA3 :: 3.65 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.3 Ave N Shift Values>> N :: 109.91(4.29) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 G 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 172.50 CA :: 43.21 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.09 HA2 :: 3.75 HA3 :: 3.41 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.7 Ave N Shift Values>> N :: 109.91(4.29) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 C 0.13 Q 0.13 R 0.13 W 0.11 E 0.09 K 0.09 M 0.07 C Shift Assignments>> C :: 178.03 CA :: 54.46 CB :: 29.97 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 :: 8.70 HA :: 4.38 HB2 :: 2.03 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 :: 122.2 Ave N Shift Values>> N :: 120.68(3.68) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 V 0.34 I 0.09 C 0.07 W 0.03 HN Overlap>> K21 C Shift Assignments>> C :: 177.27 CA :: 63.68 CB :: 31.42 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 :: 8.40 HA :: 2.89 HB :: 1.46 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.6 Ave N Shift Values>> N :: 121.02(4.96) Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.21 N 0.12 M 0.11 Y 0.09 K 0.05 F 0.04 Q 0.01 I 0.01 D 0.01 C Shift Assignments>> C :: 173.34 CA :: 54.98 CB :: 36.30 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 :: 8.55 HA :: 4.11 HB2 :: 2.86 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 :: 116.1 Ave N Shift Values>> N :: 120.79(4.69) D115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.51 A 0.18 N 0.12 D 0.05 C 0.03 L 0.01 M 0.01 H 0.01 C Shift Assignments>> C :: 177.57 CA :: 50.72 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 :: 6.12(S) HA :: 4.77 HB2 :: 2.59 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 :: 116.4 Ave N Shift Values>> N :: 120.73(4.2) M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.16 M 0.14 W 0.1 R 0.1 E 0.08 H 0.08 Q 0.07 V 0.05 C Shift Assignments>> C :: 176.78 CA :: 57.75 CB :: 32.38 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 :: 9.92 HA :: 3.83 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.4 Ave N Shift Values>> N :: 120.1(3.88) D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 C 0.2 Y 0.17 D 0.15 F 0.13 L 0.04 E 0.03 I 0.02 C Shift Assignments>> C :: 175.51 CA :: 55.13 CB :: 38.75 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.70 HA :: 4.92 HB2 :: 2.89 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.0 Ave N Shift Values>> N :: 120.73(4.2) N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.3 C 0.15 L 0.07 F 0.03 Y 0.02 K 0.01 HN Overlap>> E60 C Shift Assignments>> C :: 173.75 CA :: 50.53 CB :: 40.41 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.29 HA :: 5.19 HB2 :: 3.07 HB3 :: 2.65 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.19 I 0.11 D 0.04 L 0.04 E 0.01 K 0.01 N 0.01 C Shift Assignments>> C :: 173.85 CA :: 58.11 CB :: 39.48 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 :: 6.70 HA :: 4.76 HB :: 1.50 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 Ave N Shift Values>> N :: 121.6(4.72) R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 A 0.22 N 0.15 D 0.07 C 0.04 L 0.02 M 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 174.80 CA :: 50.97 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.92 HA :: 5.09 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 :: 125.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 R 0.11 E 0.11 V 0.1 K 0.08 H 0.07 M 0.07 Q 0.05 I 0.04 P 0.01 C Shift Assignments>> C :: 176.82 CA :: 59.41(D) CB :: 31.36 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 :: 9.97(D) HA :: 5.16(D) HB :: 2.07(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 :: 123.7(D) Ave N Shift Values>> N :: 121.02(4.96) T122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 175.67 CA :: 58.38 CB :: 66.04 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.68(D) HA :: 6.05(D) HB :: 4.46(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 :: 116.5(D) Ave N Shift Values>> N :: 115.7(5.05) T123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 S 0.11 Y 0.1 W 0.09 C 0.09 E 0.08 R 0.06 K 0.06 Q 0.05 H 0.04 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> CA :: 58.39 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 :: 7.52 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 :: 111.2 Ave N Shift Values>> N :: 115.7(5.05) P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.41 I 0.06 C 0.06 W 0.01 C Shift Assignments>> C :: 177.13 CA :: 64.55 CB :: 31.76 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.17 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.14 M 0.13 R 0.12 W 0.12 E 0.1 H 0.09 Q 0.05 V 0.04 I 0.01 C Shift Assignments>> C :: 177.13 CA :: 57.73 CB :: 31.91 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 :: 7.59 HA :: 3.61 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 :: 114.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.15 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 177.18 CA :: 55.49 CB :: 28.93 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 HA :: 4.23 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 :: 116.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 W 0.15 C 0.15 E 0.09 R 0.07 K 0.07 H 0.06 Q 0.05 V 0.05 P 0.02 M 0.01 C Shift Assignments>> C :: 177.62 CA :: 60.64 CB :: 29.29 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 :: 8.02 HA :: 3.91 HB2 :: 3.03 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.21 Y 0.09 V 0.06 F 0.06 E 0.03 C Shift Assignments>> C :: 178.38 CA :: 62.81 CB :: 36.88 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 :: 8.03 HA :: 3.72 HB :: 1.94 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 121.6(4.72) D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 C 0.18 F 0.18 D 0.17 N 0.11 L 0.08 I 0.03 E 0.01 K 0.01 C Shift Assignments>> C :: 179.08 CA :: 55.87 CB :: 39.44 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 :: 8.15 HA :: 4.44 HB2 :: 2.75 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 :: 121.8 Ave N Shift Values>> N :: 120.73(4.2) I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.18 Y 0.09 F 0.07 V 0.03 E 0.01 C Shift Assignments>> C :: 177.64 CA :: 63.07 CB :: 37.34 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 :: 8.35 HA :: 3.67 HB :: 1.57 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 :: 119.9 Ave N Shift Values>> N :: 121.6(4.72) H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 Q 0.14 K 0.13 L 0.13 H 0.11 C 0.11 W 0.08 E 0.07 I 0.02 M 0.01 HN Overlap>> L42 C Shift Assignments>> C :: 174.50 CA :: 55.83 CB :: 27.85 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 :: 7.45 HA :: 4.33 HB2 :: 3.23 HB3 :: 2.70 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 :: 117.2 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 K 0.13 W 0.11 C 0.11 E 0.11 R 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 176.57 CA :: 55.65 CB :: 29.41 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 :: 7.74 HA :: 4.27 HB2 :: 1.84 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 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.3 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 173.15(D) CA :: 44.17(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.24(D) HA2 :: 3.91(D) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.2(D) Ave N Shift Values>> N :: 109.91(4.29) K134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 H 0.09 Q 0.08 K 0.07 C 0.07 R 0.07 D 0.07 W 0.05 E 0.05 Y 0.04 F 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> CA :: 55.73(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 :: 7.76(D) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.0(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable C23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable L52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable W74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G79 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 177 #Clerical: 36 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 131 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 84 Shift Relative Order (SRO) Results: #Consistent: 215 #Suspicious: 0 C Shift Results: #Consistent: 276 #Duplicate: 72 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 294 #Duplicate: 82 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 90 #Duplicate: 33 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K14 C = 178.63(D), Expected = 176.46, Std = 2.0500, ChiSquare = 2.8981e-01 K14 CA = 56.40(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.4496e-01 K14 CB = 33.95(D), Expected = 32.83, Std = 1.8800, ChiSquare = 5.5135e-01 G15 CA = 43.54(D), Expected = 45.33, Std = 1.4200, ChiSquare = 2.0747e-01 G15 H = 9.05(D), Expected = 8.34, Std = 0.7400, ChiSquare = 3.3733e-01 G15 HA2 = 3.84(D), Expected = 3.95, Std = 0.4000, ChiSquare = 7.8332e-01 G15 HA3 = 3.61(D), Expected = 3.93, Std = 0.4000, ChiSquare = 4.2371e-01 G15 N = 106.7(D), Expected = 109.91, Std = 4.2900, ChiSquare = 4.5431e-01 P17 C = 176.92(D), Expected = 176.70, Std = 1.6900, ChiSquare = 8.9643e-01 P17 CA = 61.47(D), Expected = 63.30, Std = 1.6400, ChiSquare = 2.6448e-01 P17 CB = 30.06(D), Expected = 31.81, Std = 1.5400, ChiSquare = 2.5580e-01 P17 HA = 4.66(D), Expected = 4.41, Std = 0.3600, ChiSquare = 4.8740e-01 P17 HB2 = 2.25(D), Expected = 2.05, Std = 0.3900, ChiSquare = 6.0808e-01 V18 C = 175.71(D), Expected = 175.69, Std = 2.0300, ChiSquare = 9.9214e-01 V18 CA = 57.94(D), Expected = 62.48, Std = 3.0400, ChiSquare = 1.3533e-01 V18 H = 8.59(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.7263e-01 V18 HA = 4.70(D), Expected = 4.16, Std = 0.5700, ChiSquare = 3.4345e-01 V18 HB = 2.46(D), Expected = 1.99, Std = 0.3300, ChiSquare = 1.5438e-01 V18 N = 118.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.6966e-01 G19 C = 174.21(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.3017e-01 G19 CA = 42.32(D), Expected = 45.33, Std = 1.4200, ChiSquare = 3.4030e-02 G19 H = 8.40(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.3538e-01 G19 HA2 = 4.52(D), Expected = 3.95, Std = 0.4000, ChiSquare = 1.5416e-01 G19 HA3 = 3.85(D), Expected = 3.93, Std = 0.4000, ChiSquare = 8.4148e-01 G19 N = 108.9(D), Expected = 109.91, Std = 4.2900, ChiSquare = 8.1387e-01 D20 C = 178.03(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.6006e-01 D20 CA = 54.98(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.2661e-01 D20 CB = 40.19(D), Expected = 40.70, Std = 1.6700, ChiSquare = 7.6007e-01 D20 H = 8.32(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.8600e-01 D20 HA = 4.46(D), Expected = 4.61, Std = 0.3100, ChiSquare = 6.2848e-01 D20 HB2 = 2.89(D), Expected = 2.74, Std = 0.2900, ChiSquare = 6.0499e-01 D20 N = 116.0(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.6008e-01 K21 C = 178.38(D), Expected = 176.46, Std = 2.0500, ChiSquare = 3.4897e-01 K21 CA = 54.61(D), Expected = 56.84, Std = 2.2500, ChiSquare = 3.2163e-01 K21 CB = 29.69(D), Expected = 32.83, Std = 1.8800, ChiSquare = 9.4877e-02 K21 H = 8.43(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.4282e-01 K21 HA = 4.64(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.2371e-01 K21 HB2 = 1.66(D), Expected = 1.79, Std = 0.2500, ChiSquare = 6.0306e-01 K21 N = 121.6(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.1474e-01 W22 C = 176.87(D), Expected = 176.10, Std = 1.8900, ChiSquare = 6.8371e-01 W22 CA = 59.14(D), Expected = 57.71, Std = 2.6500, ChiSquare = 5.8946e-01 W22 H = 7.71(D), Expected = 8.35, Std = 0.8400, ChiSquare = 4.4612e-01 W22 HA = 4.35(D), Expected = 4.74, Std = 0.5500, ChiSquare = 4.7827e-01 W22 N = 121.8(D), Expected = 121.87, Std = 4.5800, ChiSquare = 9.8781e-01 L23 C = 180.50(D), Expected = 176.97, Std = 2.0900, ChiSquare = 9.1220e-02 L23 CA = 55.25(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.5637e-01 L23 CB = 37.88(D), Expected = 42.37, Std = 1.8600, ChiSquare = 1.5779e-02 L23 H = 7.55(D), Expected = 8.22, Std = 0.6500, ChiSquare = 3.0265e-01 L23 HA = 3.34(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.7060e-02 L23 N = 119.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 4.7918e-01 D24 CA = 56.16(D), Expected = 54.52, Std = 2.1000, ChiSquare = 4.3483e-01 D24 CB = 38.75(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.4294e-01 D24 H = 8.29(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.4405e-01 D24 HA = 4.29(D), Expected = 4.61, Std = 0.3100, ChiSquare = 3.0195e-01 D24 HB2 = 2.91(D), Expected = 2.74, Std = 0.2900, ChiSquare = 5.5774e-01 D24 HB3 = 2.63(D), Expected = 2.70, Std = 0.2900, ChiSquare = 8.0926e-01 D24 N = 123.4(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.2496e-01 D25 C = 177.22(D), Expected = 176.41, Std = 1.7700, ChiSquare = 6.4722e-01 D25 CA = 55.01(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.1550e-01 D25 CB = 38.64(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.1738e-01 D25 H = 7.56(D), Expected = 8.33, Std = 0.5700, ChiSquare = 1.7673e-01 D25 HA = 4.37(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.3882e-01 D25 N = 119.8(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.2476e-01 A26 C = 176.97(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.0340e-01 A26 CA = 52.73(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.3465e-01 A26 H = 7.53(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6414e-01 A26 HA = 4.60(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.1821e-01 A26 HB = 1.48(D), Expected = 1.38, Std = 0.2500, ChiSquare = 6.8916e-01 A26 N = 120.0(D), Expected = 123.23, Std = 3.7000, ChiSquare = 3.8268e-01 G27 C = 173.14(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.4271e-01 G27 CA = 43.14(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.2301e-01 G27 H = 7.38(D), Expected = 8.34, Std = 0.7400, ChiSquare = 1.9453e-01 G27 HA2 = 4.51(D), Expected = 3.95, Std = 0.4000, ChiSquare = 1.6151e-01 G27 HA3 = 3.62(D), Expected = 3.93, Std = 0.4000, ChiSquare = 4.3834e-01 G27 N = 101.9(D), Expected = 109.91, Std = 4.2900, ChiSquare = 6.1883e-02 K28 C = 173.66(D), Expected = 176.46, Std = 2.0500, ChiSquare = 1.7198e-01 K28 CA = 53.15(D), Expected = 56.84, Std = 2.2500, ChiSquare = 1.0101e-01 K28 CB = 35.24(D), Expected = 32.83, Std = 1.8800, ChiSquare = 1.9987e-01 K28 H = 7.60(D), Expected = 8.22, Std = 0.6400, ChiSquare = 3.3267e-01 K28 HA = 4.62(D), Expected = 4.28, Std = 0.4500, ChiSquare = 4.4992e-01 K28 HB2 = 1.76(D), Expected = 1.79, Std = 0.2500, ChiSquare = 9.0448e-01 K28 N = 119.8(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.4072e-01 D29 C = 176.12(D), Expected = 176.41, Std = 1.7700, ChiSquare = 8.6986e-01 D29 CA = 55.13(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.7145e-01 D29 CB = 38.98(D), Expected = 40.70, Std = 1.6700, ChiSquare = 3.0304e-01 D29 H = 8.91(D), Expected = 8.33, Std = 0.5700, ChiSquare = 3.0889e-01 D29 HA = 4.16(D), Expected = 4.61, Std = 0.3100, ChiSquare = 1.4661e-01 D29 HB2 = 2.85(D), Expected = 2.74, Std = 0.2900, ChiSquare = 7.0446e-01 D29 HB3 = 2.85(D), Expected = 2.70, Std = 0.2900, ChiSquare = 6.0499e-01 D29 N = 119.3(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.3350e-01 S30 CA = 56.80(D), Expected = 58.57, Std = 2.1200, ChiSquare = 4.0377e-01 S30 H = 8.30(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.8713e-01 S30 N = 117.6(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.4207e-01 G31 C = 173.85(D), Expected = 174.04, Std = 1.9400, ChiSquare = 9.2198e-01 G31 CA = 43.00(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.0083e-01 G31 H = 8.39(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.4613e-01 G31 HA2 = 4.33(D), Expected = 3.95, Std = 0.4000, ChiSquare = 3.4211e-01 G31 HA3 = 4.33(D), Expected = 3.93, Std = 0.4000, ChiSquare = 3.1731e-01 G31 N = 108.3(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.0744e-01 A32 CA = 47.63(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.2646e-03 A32 H = 9.36(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3195e-02 A32 N = 123.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.5630e-01 D36 C = 178.14(D), Expected = 176.41, Std = 1.7700, ChiSquare = 3.2837e-01 D36 CA = 55.06(D), Expected = 54.52, Std = 2.1000, ChiSquare = 7.9707e-01 D36 CB = 37.07(D), Expected = 40.70, Std = 1.6700, ChiSquare = 2.9731e-02 D36 H = 8.58(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.6095e-01 D36 HA = 4.39(D), Expected = 4.61, Std = 0.3100, ChiSquare = 4.7790e-01 D36 HB2 = 2.73(D), Expected = 2.74, Std = 0.2900, ChiSquare = 9.7249e-01 D36 HB3 = 2.11(D), Expected = 2.70, Std = 0.2900, ChiSquare = 4.1903e-02 D36 N = 130.0(D), Expected = 120.73, Std = 4.2000, ChiSquare = 2.7304e-02 R37 C = 178.63(D), Expected = 176.49, Std = 2.1600, ChiSquare = 3.2181e-01 R37 CA = 57.62(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.8101e-01 R37 CB = 30.43(D), Expected = 30.66, Std = 1.7700, ChiSquare = 8.9661e-01 R37 H = 8.24(D), Expected = 8.24, Std = 0.6000, ChiSquare = 1.0000e+00 R37 HA = 4.01(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5458e-01 R37 N = 118.6(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.0628e-01 I38 C = 177.32(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.4176e-01 I38 CA = 60.60(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.2175e-01 I38 H = 6.94(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.3005e-02 I38 HA = 3.64(D), Expected = 4.20, Std = 0.5600, ChiSquare = 3.1731e-01 I38 N = 116.3(D), Expected = 121.60, Std = 4.7200, ChiSquare = 2.6149e-01 A39 C = 179.24(D), Expected = 177.80, Std = 2.1800, ChiSquare = 5.0890e-01 A39 CA = 53.82(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.4867e-01 A39 H = 8.08(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4148e-01 A39 HA = 3.92(D), Expected = 4.26, Std = 0.4200, ChiSquare = 4.1821e-01 A39 HB = 1.09(D), Expected = 1.38, Std = 0.2500, ChiSquare = 2.4605e-01 A39 N = 124.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.7133e-01 D40 CA = 55.63(D), Expected = 54.52, Std = 2.1000, ChiSquare = 5.9710e-01 D40 H = 8.30(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.5803e-01 D40 N = 115.0(D), Expected = 120.73, Std = 4.2000, ChiSquare = 1.7248e-01 L42 CA = 53.70(D), Expected = 55.65, Std = 2.2100, ChiSquare = 3.7759e-01 L42 H = 7.50(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.6799e-01 L42 N = 117.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 2.4022e-01 E59 C = 181.10(D), Expected = 176.93, Std = 2.1100, ChiSquare = 4.8120e-02 E59 CA = 58.38(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.6113e-01 E59 CB = 28.46(D), Expected = 30.07, Std = 1.8400, ChiSquare = 3.8157e-01 E59 H = 8.70(D), Expected = 8.34, Std = 0.6100, ChiSquare = 5.5508e-01 E59 HA = 4.13(D), Expected = 4.26, Std = 0.4300, ChiSquare = 7.6240e-01 E59 N = 119.4(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.2797e-01 E60 C = 180.49(D), Expected = 176.93, Std = 2.1100, ChiSquare = 9.1564e-02 E60 CA = 57.48(D), Expected = 57.42, Std = 2.1900, ChiSquare = 9.7814e-01 E60 H = 8.32(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.7384e-01 E60 N = 119.2(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.8756e-01 V61 H = 8.63(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.3203e-01 V61 N = 124.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.3462e-01 D64 CA = 49.57(D), Expected = 54.52, Std = 2.1000, ChiSquare = 1.8416e-02 D64 H = 7.68(D), Expected = 8.33, Std = 0.5700, ChiSquare = 2.5414e-01 D64 N = 123.6(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.9440e-01 S68 C = 175.20(D), Expected = 174.53, Std = 1.7300, ChiSquare = 6.9855e-01 S68 CB = 63.13(D), Expected = 63.80, Std = 1.5700, ChiSquare = 6.6956e-01 S68 HA = 4.50(D), Expected = 4.51, Std = 0.4300, ChiSquare = 9.8145e-01 K69 C = 176.93(D), Expected = 176.46, Std = 2.0500, ChiSquare = 8.1866e-01 K69 CA = 58.50(D), Expected = 56.84, Std = 2.2500, ChiSquare = 4.6065e-01 K69 CB = 32.23(D), Expected = 32.83, Std = 1.8800, ChiSquare = 7.4961e-01 K69 H = 7.20(D), Expected = 8.22, Std = 0.6400, ChiSquare = 1.1099e-01 K69 HA = 4.03(D), Expected = 4.28, Std = 0.4500, ChiSquare = 5.7851e-01 K69 HB2 = 2.33(D), Expected = 1.79, Std = 0.2500, ChiSquare = 3.0773e-02 K69 HB3 = 1.93(D), Expected = 1.78, Std = 0.2600, ChiSquare = 5.6399e-01 K69 N = 123.7(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.3657e-01 N70 C = 175.32(D), Expected = 175.16, Std = 1.7600, ChiSquare = 9.2757e-01 N70 CA = 52.19(D), Expected = 53.43, Std = 1.9400, ChiSquare = 5.2271e-01 N70 CB = 38.03(D), Expected = 38.66, Std = 1.7800, ChiSquare = 7.2339e-01 N70 H = 8.75(D), Expected = 8.37, Std = 0.6500, ChiSquare = 5.5881e-01 N70 HA = 4.90(D), Expected = 4.70, Std = 0.3900, ChiSquare = 6.0808e-01 N70 HB2 = 3.04(D), Expected = 2.80, Std = 0.3400, ChiSquare = 4.8026e-01 N70 HB3 = 2.59(D), Expected = 2.78, Std = 0.3400, ChiSquare = 5.7628e-01 N70 N = 113.8(D), Expected = 119.13, Std = 4.4200, ChiSquare = 2.2786e-01 L71 CA = 52.31(D), Expected = 55.65, Std = 2.2100, ChiSquare = 1.3071e-01 L71 H = 7.49(D), Expected = 8.22, Std = 0.6500, ChiSquare = 2.6140e-01 L71 N = 120.8(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.7187e-01 K89 H = 10.99(S), Expected = 8.22, Std = 0.6400, ChiSquare = 1.5038e-05 D115 H = 6.12(S), Expected = 8.33, Std = 0.5700, ChiSquare = 1.0567e-04 V121 CA = 59.41(D), Expected = 62.48, Std = 3.0400, ChiSquare = 3.1256e-01 V121 H = 9.97(D), Expected = 8.29, Std = 0.7100, ChiSquare = 1.7972e-02 V121 HA = 5.16(D), Expected = 4.16, Std = 0.5700, ChiSquare = 7.9364e-02 V121 HB = 2.07(D), Expected = 1.99, Std = 0.3300, ChiSquare = 8.0845e-01 V121 N = 123.7(D), Expected = 121.02, Std = 4.9600, ChiSquare = 5.8897e-01 T122 H = 9.68(D), Expected = 8.27, Std = 0.6200, ChiSquare = 2.2954e-02 T122 HA = 6.05(D), Expected = 4.48, Std = 0.5000, ChiSquare = 1.6895e-03 T122 HB = 4.46(D), Expected = 4.17, Std = 0.3700, ChiSquare = 4.3317e-01 T122 N = 116.5(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.7413e-01 G133 C = 173.15(D), Expected = 174.04, Std = 1.9400, ChiSquare = 6.4640e-01 G133 CA = 44.17(D), Expected = 45.33, Std = 1.4200, ChiSquare = 4.1399e-01 G133 H = 8.24(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.9251e-01 G133 HA2 = 3.91(D), Expected = 3.95, Std = 0.4000, ChiSquare = 9.2034e-01 G133 N = 110.2(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.4611e-01 K134 CA = 55.73(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.2178e-01 K134 H = 7.76(D), Expected = 8.22, Std = 0.6400, ChiSquare = 4.7230e-01 K134 N = 126.0(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.3895e-01