M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.27 C 0.22 F 0.22 I 0.1 E 0.06 D 0.04 N 0.02 L 0.02 C Shift Assignments>> C :: 175.5 CA :: 57.7 CB :: 38.6 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>> HA :: 4.67 HB2 :: 3.03 HB3 :: 2.95 HD1 :: 7.11 HD2 :: 7.11 HE1 :: 6.81 HE2 :: 6.81 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) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> E29 C Shift Assignments>> C :: 173.6 CA :: 61.1 CB :: 69.9 CG2 :: 21.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.13 HA :: 4.30 HG2 :: 1.14 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 :: 118.1 Ave N Shift Values>> N :: 115.7(5.05) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.05 G 0.02 A 0.01 HN Overlap>> I115 C Shift Assignments>> C :: 177.0 CA :: 55.0 CB :: 42.3 CG :: 27.0 CD1 :: 24.5 CD2 :: 23.6 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.19 HA :: 4.27 HB2 :: 1.67 HB3 :: 1.63 HG :: 1.65 HD1 :: 0.96 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.1 Ave N Shift Values>> N :: 121.98(4.07) A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 177.7 CA :: 52.3 CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.34 HA :: 4.35 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.3 Ave N Shift Values>> N :: 123.23(3.7) T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.4 CA :: 61.7 CB :: 69.5 CG2 :: 21.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.04 HA :: 4.27 HB :: 4.11 HG2 :: 1.17 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.7 Ave N Shift Values>> N :: 115.7(5.05) H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 HN Overlap>> H82 C Shift Assignments>> C :: 175.2 CA :: 56.0 CB :: 30.3 CG :: 133.0 CD2 :: 119.8 CE1 :: 137.6 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 :: 8.37 HA :: 4.75 HB2 :: 3.19 HB3 :: 3.13 HD2 :: 7.13 HE1 :: 8.13 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 :: 121.4 ND1 :: 203.4 NE2 :: 177.5 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.4 CA :: 61.6 CB :: 69.9 CG2 :: 21.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.14 HA :: 4.30 HB :: 4.16 HG2 :: 1.17 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.0 Ave N Shift Values>> N :: 115.7(5.05) A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 178.0 CA :: 52.6 CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.37 HA :: 4.33 HB :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.7 Ave N Shift Values>> N :: 123.23(3.7) G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.7 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.36 HA2 :: 3.96 HA3 :: 3.96 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.3 Ave N Shift Values>> N :: 109.91(4.29) V12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.0(D) CA :: 61.9(D) CB :: 32.5(D) CG1 :: 20.8(D) CG2 :: 20.4(D) Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.95(D) HA :: 4.11(D) HB :: 2.02(D) HG1 :: 0.88(D) HG2 :: 0.90(D) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 121.02(4.96) I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 174.5(D) CA :: 58.2(D) CB :: 38.3(D) CG1 :: 26.9(D) CG2 :: 16.9(D) CD1 :: 12.4(D) Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.34(D) HA :: 4.47 HB :: 1.87 HG2 :: 0.95(D) HG12 :: 1.53(D) HG13 :: 1.19(D) HD1 :: 0.86(D) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.1(D) Ave N Shift Values>> N :: 121.6(4.72) P14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.5(D) CA :: 63.0(D) CB :: 32.0(D) CG :: 27.2(D) CD :: 50.8(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 :: 4.38(D) HB2 :: 2.31(D) HB3 :: 2.04(D) HG2 :: 1.94(D) HG3 :: 1.94(D) HD2 :: 3.93(D) HD3 :: 3.69(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) A15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.21 C 0.02 C Shift Assignments>> C :: 178.4(D) CA :: 52.6(D) CB :: 19.1(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.39(D) HA :: 4.30 HB :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 123.23(3.7) G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.0 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.41 HA2 :: 3.96 HA3 :: 3.96 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.1 Ave N Shift Values>> N :: 109.91(4.29) K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.31 R 0.19 M 0.07 A 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.0 CB :: 33.0 CG :: 22.8 CD :: 28.9 CE :: 42.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.18 HA :: 4.35 HB2 :: 1.86 HB3 :: 1.76 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 1.70 HD3 :: 1.70 HE2 :: 3.00 HE3 :: 3.00 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 :: 120.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.27 R 0.05 G 0.02 A 0.01 C Shift Assignments>> C :: 176.8 CA :: 55.0 CB :: 42.4 CG :: 26.8 CD1 :: 24.7 CD2 :: 23.7 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.24 HA :: 4.41 HB2 :: 1.72 HB3 :: 1.67 HG :: 1.70 HD1 :: 0.96 HD2 :: 0.92 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.5 Ave N Shift Values>> N :: 121.98(4.07) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.13 K 0.06 Q 0.04 I 0.03 HN Overlap>> V51 C Shift Assignments>> C :: 174.9 CA :: 56.5 CB :: 30.6 CG :: 36.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.70 HA :: 4.41 HB2 :: 2.12 HB3 :: 1.99 HG2 :: 2.33 HG3 :: 2.20 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 :: 124.0 Ave N Shift Values>> N :: 120.68(3.68) R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.23 G 0.04 HN Overlap>> E70 C Shift Assignments>> C :: 175.7 CA :: 54.8 CB :: 32.5 CG :: 27.4 CD :: 43.0 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.24 HA :: 4.97 HB2 :: 1.88 HB3 :: 1.72 HG2 :: 1.61 HG3 :: 1.61 HD2 :: 3.21 HD3 :: 3.21 HE :: 7.34 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.9 NE :: 84.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.35 C Shift Assignments>> C :: 173.3 CA :: 59.4 CB :: 34.7 CG1 :: 21.3 CG2 :: 19.3 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 :: 8.08 HA :: 4.38 HB :: 1.83 HG1 :: 0.61 HG2 :: 0.42 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 :: 117.6 Ave N Shift Values>> N :: 121.02(4.96) D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.23 C 0.17 L 0.12 K 0.03 F 0.03 Y 0.02 R 0.01 G 0.01 HN Overlap>> Y120 C Shift Assignments>> C :: 176.0 CA :: 50.3 CB :: 41.4 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 :: 8.33 HA :: 4.98 HB2 :: 3.15 HB3 :: 2.51 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 :: 123.2 Ave N Shift Values>> N :: 120.73(4.2) P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.7 CA :: 64.5 CB :: 31.8 CG :: 26.7 CD :: 51.1 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 :: 4.33 HB2 :: 2.28 HB3 :: 2.10 HG2 :: 2.14 HG3 :: 1.96 HD2 :: 4.19 HD3 :: 4.04 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.7 CA :: 64.0 CB :: 69.1 CG2 :: 21.8 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 :: 8.46 HA :: 4.27 HB :: 4.29 HG2 :: 1.33 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 :: 108.6 Ave N Shift Values>> N :: 115.7(5.05) T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 177.1 CA :: 61.3 CB :: 70.1 CG2 :: 21.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.47 HA :: 4.75 HB :: 4.56 HG2 :: 1.09 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.5 Ave N Shift Values>> N :: 115.7(5.05) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 175.6 CA :: 64.3 CB :: 31.6 CG1 :: 21.8 CG2 :: 20.8 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 :: 7.14 HA :: 4.19 HB :: 2.07 HG1 :: 0.71 HG2 :: 0.79 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 :: 121.7 Ave N Shift Values>> N :: 121.02(4.96) R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.38 G 0.13 K 0.08 C Shift Assignments>> C :: 175.9 CA :: 56.9 CB :: 30.1 CG :: 28.9 CD :: 43.8 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 HA :: 4.25 HB2 :: 1.88 HB3 :: 1.54 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 2.95 HD3 :: 2.95 HE :: 7.04 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.4 NE :: 84.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.37 E 0.21 C Shift Assignments>> C :: 175.5 CA :: 56.9 CB :: 31.1 CG :: 34.0 CD :: 179.9 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 :: 7.80 HA :: 4.41 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.39 HG3 :: 2.28 HE21 :: 7.59 HE22 :: 6.82 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.4 NE2 :: 111.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.35 E 0.17 Q 0.07 K 0.01 HN Overlap>> T4 C Shift Assignments>> C :: 175.1 CA :: 55.0 CB :: 32.5 CG :: 35.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.10 HA :: 4.57 HB2 :: 2.02 HB3 :: 1.91 HG2 :: 2.18 HG3 :: 2.18 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 120.68(3.68) G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.1 CA :: 44.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.97 HA2 :: 3.79 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 :: 113.2 Ave N Shift Values>> N :: 109.91(4.29) P31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> C :: 176.6 CA :: 64.5 CB :: 30.1 CG :: 26.7 CD :: 49.4 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 :: 3.69 HB2 :: 0.66(S) HB3 :: -0.27(M) HG2 :: 1.30 HG3 :: 1.06 HD2 :: 3.69 HD3 :: 3.45 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) W32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 C 0.43 H 0.04 C Shift Assignments>> C :: 174.8 CA :: 60.4 CB :: 29.4 CD1 :: 126.1 CE2 :: 139.6(M) CE3 :: 122.1 CZ2 :: 112.9 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.77 HA :: 4.33 HB2 :: 3.24 HB3 :: 2.95 HD1 :: 6.80 HE1 :: 9.60 HE3 :: 7.93 HZ2 :: 7.01 HZ3 :: 7.05 HH2 :: 7.15 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 :: 117.3 NE1 :: 128.6 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 177.5 CA :: 54.5 CB :: 18.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.24 HA :: 3.96 HB :: 1.06 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 123.23(3.7) D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 C 0.22 N 0.2 L 0.11 G 0.05 K 0.02 F 0.02 R 0.02 Y 0.01 C Shift Assignments>> C :: 176.9 CA :: 49.5 CB :: 41.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.72 HA :: 5.21 HB2 :: 2.52 HB3 :: 2.42 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 :: 114.6 Ave N Shift Values>> N :: 120.73(4.2) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 177.4 CA :: 64.3 CB :: 32.0 CG :: 26.7 CD :: 51.1 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 :: 4.30 HB2 :: 2.25 HB3 :: 2.17 HG2 :: 2.02 HG3 :: 2.02 HD2 :: 4.14 HD3 :: 3.82 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) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.32 C 0.02 C Shift Assignments>> C :: 179.1 CA :: 53.5 CB :: 18.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.19 HA :: 4.33 HB :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 123.23(3.7) Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.48 C 0.39 E 0.11 C Shift Assignments>> C :: 175.3 CA :: 53.8 CB :: 28.9 CG :: 33.5 CD :: 180.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.75 HA :: 4.70 HB2 :: 2.47 HB3 :: 1.70 HG2 :: 2.26 HG3 :: 2.12 HE21 :: 7.93 HE22 :: 6.85 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.9 NE2 :: 113.4 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.2 L 0.18 C 0.1 V 0.05 T 0.03 C Shift Assignments>> C :: 176.3 CA :: 55.5 CB :: 21.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.04 HA :: 4.38 HB :: 1.80 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 123.23(3.7) V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.2 CA :: 61.6 CB :: 31.8 CG1 :: 21.3 CG2 :: 20.3 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 :: 7.90 HA :: 4.73 HB :: 2.18 HG1 :: 0.90 HG2 :: 1.03 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 :: 113.8 Ave N Shift Values>> N :: 121.02(4.96) V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 175.1 CA :: 60.6 CB :: 35.2 CG1 :: 20.9 CG2 :: 20.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.59 HA :: 4.41 HB :: 2.07 HG1 :: 0.93 HG2 :: 1.03 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 :: 129.1 Ave N Shift Values>> N :: 121.02(4.96) Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.22 Q 0.22 R 0.19 E 0.02 M 0.02 C Shift Assignments>> C :: 176.3 CA :: 56.7 CB :: 27.2 CG :: 33.0 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 :: 9.19 HA :: 4.17 HB2 :: 1.88 HB3 :: 1.81 HG2 :: 2.18 HG3 :: 1.99 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 :: 128.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.07 C Shift Assignments>> C :: 174.1 CA :: 61.6 CB :: 68.7 CG2 :: 21.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.29 HA :: 4.41 HB :: 4.44 HG2 :: 1.11 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 :: 119.2 Ave N Shift Values>> N :: 115.7(5.05) G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 170.5 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.02 HA2 :: 3.98 HA3 :: 3.98 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.1 Ave N Shift Values>> N :: 109.91(4.29) P44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.44 D 0.25 C 0.13 L 0.05 Y 0.04 F 0.04 C Shift Assignments>> C :: 173.2 CA :: 51.9 CB :: 39.6 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> HA :: 4.85 HB2 :: 2.95 HB3 :: 2.44 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) Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.33 E 0.07 Q 0.03 C Shift Assignments>> C :: 173.2 CA :: 54.4 CB :: 33.8 CG :: 35.0 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 :: 6.97 HA :: 5.58 HB2 :: 1.72 HB3 :: 1.43 HG2 :: 2.23 HG3 :: 2.23 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 F 0.16 L 0.16 Y 0.14 K 0.13 C 0.13 N 0.04 R 0.02 I 0.02 C Shift Assignments>> C :: 174.3 CA :: 56.2 CB :: 40.8 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 :: 8.91 HA :: 5.10 HB2 :: 2.52 HB3 :: 2.52 HD1 :: 6.66 HD2 :: 6.66 HE1 :: 6.46 HE2 :: 6.46 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 :: 124.6 Ave N Shift Values>> N :: 120.79(4.69) T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.2 CA :: 61.3 CB :: 69.6 CG2 :: 19.8 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 :: 9.63 HA :: 5.12 HB :: 3.72 HG2 :: 0.58 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 :: 121.3 Ave N Shift Values>> N :: 115.7(5.05) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.6 CA :: 59.4 CB :: 34.0 CG1 :: 21.3 CG2 :: 21.1 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.76 HA :: 5.12 HB :: 1.64 HG1 :: 0.58 HG2 :: 0.79 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 :: 125.7 Ave N Shift Values>> N :: 121.02(4.96) Y50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.23 Y 0.18 I 0.11 F 0.1 M 0.03 K 0.02 V 0.01 C Shift Assignments>> C :: 174.7 CA :: 58.4 CB :: 36.9 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 :: 9.15 HA :: 4.65 HB2 :: 2.39 HB3 :: 1.33(S) HD1 :: 6.23 HD2 :: 6.23 HE1 :: 6.22 HE2 :: 6.22 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 :: 129.7 Ave N Shift Values>> N :: 120.79(4.69) V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 HN Overlap>> E19 C Shift Assignments>> C :: 175.7 CA :: 59.9 CB :: 34.7 CG1 :: 22.8 CG2 :: 20.8 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 :: 8.74 HA :: 5.42 HB :: 1.91 HG1 :: 1.09 HG2 :: 1.11 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 :: 123.9 Ave N Shift Values>> N :: 121.02(4.96) L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.23 C 0.19 C Shift Assignments>> C :: 175.0 CA :: 52.6 CB :: 46.0 CG :: 27.2 CD1 :: 25.9 CD2 :: 24.7 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.68 HA :: 5.18 HB2 :: 1.96 HB3 :: 1.70 HG :: 1.56 HD1 :: 0.59 HD2 :: 0.60 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 :: 128.7 Ave N Shift Values>> N :: 121.98(4.07) A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.07 C 0.06 L 0.02 C Shift Assignments>> C :: 172.7 CA :: 49.9 CB :: 20.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.75 HA :: 4.59 HB :: 1.03 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.7 Ave N Shift Values>> N :: 123.23(3.7) F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.2 R 0.14 K 0.12 C 0.1 F 0.04 N 0.03 Y 0.03 G 0.01 C Shift Assignments>> C :: 172.1 CA :: 53.8 CB :: 42.5 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 :: 7.53 HA :: 5.20 HB2 :: 2.95 HB3 :: 2.23 HD1 :: 6.62 HD2 :: 6.62 HE1 :: 6.95 HE2 :: 6.95 HZ :: 7.13 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 :: 116.7 Ave N Shift Values>> N :: 120.69(4.18) A55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.99 C Shift Assignments>> C :: 177.8 CA :: 46.2(S) CB :: 15.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 10.52(S) HA :: 3.66 HB :: 0.16(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.2 Ave N Shift Values>> N :: 123.23(3.7) F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.24 C 0.17 I 0.13 K 0.06 L 0.05 D 0.03 C Shift Assignments>> C :: 173.5 CA :: 58.9 CB :: 40.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.99 HA :: 5.42 HB2 :: 2.79 HB3 :: 2.60 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 :: 129.9 Ave N Shift Values>> N :: 120.69(4.18) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 177.7 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.40 HA2 :: 3.45 HA3 :: 3.45 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.5 Ave N Shift Values>> N :: 109.91(4.29) Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.21 D 0.14 C 0.1 F 0.1 R 0.1 Y 0.08 N 0.01 C Shift Assignments>> C :: 175.2 CA :: 56.0 CB :: 41.8 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 :: 8.17 HA :: 5.36 HB2 :: 2.73 HB3 :: 2.55 HD1 :: 6.64 HD2 :: 6.64 HE1 :: 6.26 HE2 :: 6.26 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 112.3 Ave N Shift Values>> N :: 120.79(4.69) Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.22 P 0.16 K 0.1 H 0.04 R 0.02 W 0.02 N 0.02 E 0.01 C Shift Assignments>> C :: 173.0 CA :: 51.9 CB :: 33.8 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 :: 9.19 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 P 0.35 C Shift Assignments>> C :: 174.3 CA :: 62.6 CB :: 34.7 CG :: 25.5 CD :: 49.4 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 :: 4.75 HB2 :: 2.47 HB3 :: 2.12 HG2 :: 1.99 HG3 :: 1.83 HD2 :: 4.09 HD3 :: 3.50 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) N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.31 C 0.14 L 0.08 F 0.03 Y 0.03 K 0.01 C Shift Assignments>> C :: 173.4 CA :: 50.8 CB :: 40.5 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.24 HA :: 5.10 HB2 :: 3.24 HB3 :: 3.07 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 :: 113.0 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 P 0.24 A 0.01 C Shift Assignments>> C :: 176.5 CA :: 63.3 CB :: 34.7 CG :: 24.5 CD :: 50.1 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 :: 5.26 HB2 :: 2.23 HB3 :: 1.78 HG2 :: 1.96 HG3 :: 1.80 HD2 :: 3.69 HD3 :: 3.53 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) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 174.2 CA :: 61.3 CB :: 39.6 CG1 :: 28.4 CG2 :: 18.9 CD1 :: 15.2 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 :: 8.36 HA :: 4.06 HB :: 1.80 HG2 :: 0.87 HG12 :: 1.93 HG13 :: 1.04 HD1 :: 0.95 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 121.6(4.72) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.33 M 0.19 K 0.02 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.7 CA :: 54.8 CB :: 31.3 CG :: 36.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.48 HA :: 5.47 HB2 :: 1.75 HB3 :: 1.75 HG2 :: 2.07 HG3 :: 1.88 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 :: 128.9 Ave N Shift Values>> N :: 120.68(3.68) V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 A 0.17 V 0.06 C Shift Assignments>> C :: 172.4 CA :: 56.6 CB :: 34.1 CG1 :: 22.3 CG2 :: 18.0 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 :: 8.50 HB :: 1.89 HG1 :: 0.60 HG2 :: 0.45 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 :: 115.2 Ave N Shift Values>> N :: 121.02(4.96) P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 C Shift Assignments>> C :: 177.4 CA :: 61.3 CB :: 32.0 CG :: 27.2 CD :: 49.6 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 :: 4.67 HB2 :: 2.20 HB3 :: 1.75 HG2 :: 1.59 HG3 :: 1.48 HD2 :: 3.13 HD3 :: 2.73 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) Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 Q 0.34 E 0.01 C Shift Assignments>> C :: 176.7 CA :: 56.7 CB :: 27.9 CG :: 32.3 CD :: 178.4 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.51 HA :: 3.90 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 2.36 HG3 :: 2.07 HE21 :: 7.84 HE22 :: 6.78 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.5 NE2 :: 110.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 172.7 CA :: 46.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.74 HA2 :: 4.14 HA3 :: 3.37 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.1 Ave N Shift Values>> N :: 109.91(4.29) A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.1 C 0.05 L 0.03 C Shift Assignments>> C :: 176.6 CA :: 50.6 CB :: 20.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.01 HA :: 4.57 HB :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 123.23(3.7) E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.38 I 0.07 M 0.07 K 0.04 Q 0.01 HN Overlap>> R20 C Shift Assignments>> C :: 173.9 CA :: 56.9 CB :: 30.3 CG :: 36.9 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.28 HA :: 4.33 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 2.07 HG3 :: 1.99 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 120.68(3.68) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.15 A 0.09 M 0.03 C Shift Assignments>> C :: 175.2 CA :: 57.2 CB :: 35.7 CG1 :: 28.1 CG2 :: 17.9 CD1 :: 10.3 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.14 HA :: 4.83 HB :: 2.28 HG2 :: -0.06 HG12 :: 2.38 HG13 :: 1.25 HD1 :: 0.66 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 :: 130.4 Ave N Shift Values>> N :: 121.6(4.72) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.5 CA :: 60.6 CB :: 31.3 CG1 :: 21.3 CG2 :: 19.8 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 :: 9.03 HA :: 4.38 HB :: 2.20 HG1 :: 0.67 HG2 :: 0.64 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 :: 127.3 Ave N Shift Values>> N :: 121.02(4.96) F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.09 L 0.07 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 175.5 CA :: 57.4 CB :: 39.9 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.52 HA :: 5.02 HB2 :: 3.03 HB3 :: 2.47 HD1 :: 7.19 HD2 :: 7.19 HE1 :: 7.19 HE2 :: 7.19 HZ :: 7.23 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 120.69(4.18) K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.33 R 0.13 M 0.04 C Shift Assignments>> C :: 175.9 CA :: 54.3 CB :: 33.0 CG :: 24.2 CD :: 28.9 CE :: 41.8 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.99 HA :: 5.12 HB2 :: 1.57 HB3 :: 1.48 HG2 :: 1.11 HG3 :: 1.05 HD2 :: 1.48 HD3 :: 1.48 HE2 :: 2.87 HE3 :: 2.73 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 :: 122.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.28 G 0.01 C Shift Assignments>> C :: 175.7 CA :: 59.6 CB :: 41.6 CG1 :: 27.4 CG2 :: 20.6 CD1 :: 14.7 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.42 HA :: 5.87 HB :: 1.41 HG2 :: 0.77 HG12 :: 1.28 HG13 :: 0.01 HD1 :: -0.19 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 :: 125.2 Ave N Shift Values>> N :: 121.6(4.72) T76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.92 T 0.06 C Shift Assignments>> C :: 170.8 CA :: 61.1 CB :: 70.4 CG2 :: 15.9(S) 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 :: 8.18 HA :: 4.59 HB :: 3.48 HG2 :: -0.48(S) 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 :: 119.1 Ave N Shift Values>> N :: 115.7(5.05) S77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> P 0.98 C 0.01 C Shift Assignments>> C :: 174.7 CA :: 51.2(S) CB :: 66.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.17 HA :: 6.44(M) HB2 :: 3.99 HB3 :: 3.12 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 :: 115.3 Ave N Shift Values>> N :: 116.3(3.95) P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 174.6 CA :: 62.3 CB :: 32.5 CG :: 25.7 CD :: 50.1 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 :: 4.86 HB2 :: 2.26 HB3 :: 1.75 HG2 :: 2.02 HG3 :: 2.02 HD2 :: 4.62 HD3 :: 4.62 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) D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.16 R 0.12 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> C :: 174.1 CA :: 55.2 CB :: 42.1 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.80 HA :: 4.78 HB2 :: 2.89 HB3 :: 2.63 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 120.73(4.2) V80 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.8 V 0.17 A 0.01 I 0.01 C Shift Assignments>> C :: 174.6 CA :: 58.9 CB :: 34.5 CG1 :: 21.3 CG2 :: 17.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 11.63(M) HA :: 4.59 HB :: 2.26 HG1 :: 0.82 HG2 :: 0.42 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 :: 122.3 Ave N Shift Values>> N :: 121.02(4.96) I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 175.0 CA :: 62.3 CB :: 38.1 CG1 :: 29.1 CG2 :: 16.4 CD1 :: 13.5 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.34 HA :: 4.57 HB :: 1.48 HG2 :: 0.74 HG12 :: 1.07 HG13 :: 1.07 HD1 :: 0.85 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 121.6(4.72) H82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 H 0.01 Y 0.01 HN Overlap>> H8 C Shift Assignments>> C :: 174.9 CA :: 54.1 CB :: 37.7(S) CG :: 135.5 CD2 :: 120.2 CE1 :: 137.9 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.32 HA :: 5.20 HB2 :: 3.69 HB3 :: 2.12 HD2 :: 6.66 HE1 :: 6.97 HE2 :: 11.78 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 :: 121.4 ND1 :: 226.6 NE2 :: 165.0 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 172.3 CA :: 43.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.20 HA2 :: 5.31(S) HA3 :: 4.22 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.3 Ave N Shift Values>> N :: 109.91(4.29) F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 C 0.17 I 0.09 L 0.07 K 0.07 D 0.05 C Shift Assignments>> C :: 171.7 CA :: 58.2 CB :: 40.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.79 HA :: 4.30 HB2 :: 3.19 HB3 :: 2.39 HD1 :: 6.82 HD2 :: 6.82 HE1 :: 6.35 HE2 :: 6.35 HZ :: 5.98 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 120.69(4.18) H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.26 W 0.18 C Shift Assignments>> C :: 173.1 CA :: 52.8 CB :: 29.4 CG :: 129.8 CD2 :: 122.2 CE1 :: 138.5 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 :: 7.53 HA :: 5.44 HB2 :: 3.21 HB3 :: 2.92 HD2 :: 6.83 HE1 :: 8.28 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 :: 125.1 ND1 :: 174.4 NE2 :: 199.0 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 175.6 CA :: 60.1 CB :: 30.1 CG1 :: 21.8 CG2 :: 21.8 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 :: 6.59 HA :: 4.33 HB :: 1.80 HG1 :: 0.63 HG2 :: 0.00 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 :: 124.9 Ave N Shift Values>> N :: 121.02(4.96) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.13 K 0.05 M 0.05 Q 0.01 C Shift Assignments>> C :: 177.3 CA :: 58.2 CB :: 30.1 CG :: 36.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.93 HA :: 3.88 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.28 HG3 :: 2.15 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 :: 130.7 Ave N Shift Values>> N :: 120.68(3.68) G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.2 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.02 HA2 :: 4.38 HA3 :: 3.82 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.9 Ave N Shift Values>> N :: 109.91(4.29) T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.3 C Shift Assignments>> C :: 173.4 CA :: 59.9 CB :: 72.7 CG2 :: 20.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.86 HA :: 4.49 HB :: 3.58 HG2 :: 0.82 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.3 Ave N Shift Values>> N :: 115.7(5.05) N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.21 D 0.08 Y 0.04 F 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.7 CA :: 51.9 CB :: 37.7 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.77 HA :: 4.91 HB2 :: 3.19 HB3 :: 2.89 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 :: 115.5 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 176.5 CA :: 62.6 CB :: 37.7 CG1 :: 26.7 CG2 :: 17.4 CD1 :: 12.0 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.58 HA :: 3.77 HB :: 1.43 HG2 :: 0.82 HG12 :: 1.04 HG13 :: 0.64 HD1 :: 0.16 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 121.6(4.72) N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.21 C 0.16 Y 0.11 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 173.1 CA :: 54.0 CB :: 39.1 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.13 HA :: 5.15 HB2 :: 2.92 HB3 :: 2.55 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 :: 131.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 174.3 CA :: 60.1 CB :: 35.7 CG1 :: 21.8 CG2 :: 20.8 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 :: 8.38 HA :: 4.73 HB :: 2.26 HG1 :: 0.98 HG2 :: 1.01 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.02(4.96) E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.15 K 0.05 Q 0.04 I 0.02 C Shift Assignments>> C :: 174.7 CA :: 56.2 CB :: 30.8 CG :: 36.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.67 HA :: 4.59 HB2 :: 1.94 HB3 :: 1.88 HG2 :: 2.10 HG3 :: 2.10 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.5 Ave N Shift Values>> N :: 120.68(3.68) V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 172.9 CA :: 61.6 CB :: 32.5 CG1 :: 21.8 CG2 :: 20.8 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 :: 9.19 HA :: 4.01 HB :: 1.91 HG1 :: 0.79 HG2 :: 0.71 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 :: 125.7 Ave N Shift Values>> N :: 121.02(4.96) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.15 A 0.04 G 0.02 R 0.01 C Shift Assignments>> C :: 175.1 CA :: 51.9 CB :: 42.1 CG :: 26.5 CD1 :: 24.6 CD2 :: 23.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.26 HB2 :: 1.52 HB3 :: 1.38 HG :: 1.66 HD1 :: 0.95 HD2 :: 0.94 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 :: 128.2 Ave N Shift Values>> N :: 121.98(4.07) P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.6 CA :: 62.3 CB :: 31.3 CG :: 27.4 CD :: 50.4 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 :: 4.73 HB2 :: 1.80 HB3 :: 1.74 HG2 :: 1.96 HG3 :: 1.62 HD2 :: 3.57 HD3 :: 3.40 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) G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.4 CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.17 HA2 :: 4.27 HA3 :: 4.06 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.5 Ave N Shift Values>> N :: 109.91(4.29) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.32 E 0.14 Q 0.02 HN Overlap>> R109 C Shift Assignments>> C :: 176.7 CA :: 54.0 CB :: 33.0 CG :: 35.9 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.88 HA :: 5.12 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 2.15 HG3 :: 2.08 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 120.68(3.68) V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.9 CA :: 61.6 CB :: 33.3 CG1 :: 22.3 CG2 :: 21.8 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 :: 8.86 HA :: 4.54 HB :: 2.10 HG1 :: 0.87 HG2 :: 1.09 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.2 Ave N Shift Values>> N :: 121.02(4.96) S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.0 CA :: 57.7 CB :: 64.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.77 HA :: 4.99 HB2 :: 3.88 HB3 :: 3.77 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 :: 127.2 Ave N Shift Values>> N :: 116.3(3.95) T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 174.4 CA :: 61.6 CB :: 70.1 CG2 :: 21.1 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.92 HA :: 5.74 HB :: 3.99 HG2 :: 1.11 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 :: 121.6 Ave N Shift Values>> N :: 115.7(5.05) V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.46 C Shift Assignments>> C :: 172.7 CA :: 60.4 CB :: 35.5 CG1 :: 21.7 CG2 :: 20.9 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.81 HA :: 4.54 HB :: 2.10 HG1 :: 1.01 HG2 :: 1.01 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 :: 126.0 Ave N Shift Values>> N :: 121.02(4.96) R104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 C 0.33 K 0.27 G 0.05 C Shift Assignments>> C :: 175.8 CA :: 54.0 CB :: 32.5 CG :: 28.1 CD :: 43.0 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.62 HA :: 5.92(S) HB2 :: 1.75 HB3 :: 1.70 HG2 :: 1.48 HG3 :: 1.48 HD2 :: 3.13 HD3 :: 3.13 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 :: 126.0 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 R 0.19 C 0.19 L 0.09 F 0.05 Y 0.03 C Shift Assignments>> C :: 172.7 CA :: 59.4 CB :: 44.5 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.66 HA :: 4.35 HB2 :: 2.81 HB3 :: 2.31 HD1 :: 6.00 HD2 :: 6.00 HE1 :: 6.48 HE2 :: 6.48 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 :: 125.9 Ave N Shift Values>> N :: 120.79(4.69) T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.8 CA :: 61.1 CB :: 69.9 CG2 :: 19.8 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 :: 6.80 HA :: 4.70 HG2 :: 0.77 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 :: 120.9 Ave N Shift Values>> N :: 115.7(5.05) F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.03 N 0.01 C Shift Assignments>> C :: 176.1 CA :: 57.9 CB :: 39.9 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.99 HA :: 4.43 HB2 :: 3.13 HB3 :: 2.81 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 7.18 HE2 :: 7.18 HZ :: 7.20 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 :: 126.0 Ave N Shift Values>> N :: 120.69(4.18) K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.02 C Shift Assignments>> C :: 175.9 CA :: 56.5 CB :: 33.0 CG :: 25.0 CD :: 28.6 CE :: 41.8 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.62 HA :: 4.41 HB2 :: 1.99 HB3 :: 1.75 HG2 :: 1.43 HG3 :: 1.35 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.92 HE3 :: 2.92 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 M 0.18 H 0.13 R 0.1 P 0.08 K 0.08 W 0.07 Q 0.05 E 0.03 HN Overlap>> E99 C Shift Assignments>> C :: 174.2 CA :: 52.4 CB :: 31.6 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 :: 7.84 HA :: 5.02 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.2 CA :: 62.3 CB :: 32.5 CG :: 27.2 CD :: 50.8 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 :: 4.41 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 1.86 HG3 :: 1.86 HD2 :: 3.88 HD3 :: 3.72 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) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.4 CA :: 44.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.70 HA2 :: 4.38 HA3 :: 3.77 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.2 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>> C 0.44 E 0.32 M 0.18 I 0.01 K 0.01 C Shift Assignments>> C :: 176.2 CA :: 55.2 CB :: 31.6 CG :: 36.9 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.16 HA :: 5.18 HB2 :: 1.84 HB3 :: 1.78 HG2 :: 2.28 HG3 :: 2.04 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.68(3.68) Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.18 D 0.17 C 0.16 L 0.11 N 0.06 K 0.05 I 0.03 C Shift Assignments>> C :: 174.4 CA :: 56.2 CB :: 40.1 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.72 HA :: 4.65 HB2 :: 2.70 HB3 :: 2.63 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 6.67 HE2 :: 6.67 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 :: 125.1 Ave N Shift Values>> N :: 120.79(4.69) R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.17 G 0.06 C Shift Assignments>> C :: 174.4 CA :: 56.2 CB :: 31.8 CG :: 27.3 CD :: 43.3 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 :: 8.89 HA :: 4.67 HB2 :: 1.78 HB3 :: 1.67 HG2 :: 1.51 HG3 :: 1.51 HD2 :: 3.00 HD3 :: 2.93 HE :: 7.01 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 :: 124.8 NE :: 83.8 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.59 C 0.39 HN Overlap>> L5 C Shift Assignments>> C :: 175.5 CA :: 59.4 CB :: 39.9 CG1 :: 26.2 CG2 :: 17.4 CD1 :: 14.5 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 :: 8.30 HA :: 4.19 HB :: 0.50(S) HG2 :: -0.54(S) HG12 :: 1.14 HG13 :: -0.10(S) HD1 :: 0.29 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 :: 125.1 Ave N Shift Values>> N :: 121.6(4.72) I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.43 G 0.04 A 0.01 C Shift Assignments>> C :: 173.7 CA :: 59.1 CB :: 42.5 CG1 :: 27.2 CG2 :: 18.1 CD1 :: 14.0 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.01 HA :: 4.86 HB :: 1.78 HG2 :: 0.90 HG12 :: 1.41 HG13 :: 1.09 HD1 :: 0.82 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 :: 122.5 Ave N Shift Values>> N :: 121.6(4.72) C117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 V 0.18 W 0.12 K 0.1 R 0.08 M 0.07 E 0.06 H 0.05 Q 0.03 I 0.03 P 0.03 C Shift Assignments>> C :: 176.3 CA :: 59.9 CB :: 32.3 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.29 HA :: 4.41 HB2 :: 3.32 HB3 :: 3.05 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 119.95(4.79) N118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.24 D 0.05 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.7 CA :: 51.1 CB :: 37.4 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.39 HA :: 5.18 HB2 :: 3.29 HB3 :: 2.44 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 :: 125.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.25 R 0.2 M 0.17 Q 0.03 C Shift Assignments>> C :: 172.6 CA :: 53.5 CB :: 29.4 CG :: 31.1 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.59 HA :: 4.48 HB2 :: 1.59 HB3 :: 1.59 HG2 :: 2.18 HG3 :: 2.02 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y120 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.42 C 0.23 Y 0.12 F 0.08 E 0.06 V 0.04 HN Overlap>> D22 C Shift Assignments>> C :: 178.2 CA :: 61.8 CB :: 36.9 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 :: 8.33 HA :: 2.49(S) HB2 :: 2.60 HB3 :: 2.60 HD1 :: 6.86 HD2 :: 6.86 HE1 :: 6.81 HE2 :: 6.81 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 :: 123.2 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) (HA > HB3 : 0.9965) C121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.18 M 0.17 K 0.15 E 0.12 W 0.02 H 0.02 Y 0.02 R 0.02 V 0.02 C Shift Assignments>> C :: 174.4 CA :: 56.5 CB :: 34.5 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.14 HA :: 4.54 HB2 :: 3.08 HB3 :: 2.89 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 128.1 Ave N Shift Values>> N :: 119.95(4.79) G122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent 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 :: 174.0 CA :: 43.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.75(S) HA2 :: 4.86 HA3 :: 3.56 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.4 Ave N Shift Values>> N :: 109.91(4.29) L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.03 C Shift Assignments>> C :: 178.2 CA :: 57.7 CB :: 41.6 CG :: 26.9 CD1 :: 24.7 CD2 :: 23.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.62 HA :: 4.06 HB2 :: 1.64 HB3 :: 1.51 HG :: 1.75 HD1 :: 0.96 HD2 :: 0.95 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 121.98(4.07) G124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.2 CA :: 44.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.53(S) HA2 :: 3.78 HA3 :: 1.80(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.9 Ave N Shift Values>> N :: 109.91(4.29) H125 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 H 0.18 C Shift Assignments>> C :: 178.0 CA :: 60.1 CB :: 32.0 CG :: 136.5 CD2 :: 119.0 CE1 :: 140.6(M) Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.52 HA :: 4.30 HB2 :: 3.72 HB3 :: 3.03 HD2 :: 7.31 HE1 :: 7.38 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 :: 121.8 ND1 :: 220.1 NE2 :: 164.3 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.4 E 0.14 C Shift Assignments>> C :: 175.3 CA :: 57.7 CB :: 27.9 CG :: 33.5 CD :: 180.5 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.72 HA :: 3.85 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.41 HG3 :: 2.41 HE21 :: 7.72 HE22 :: 7.37 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 :: 115.3 NE2 :: 112.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.35 C 0.13 C Shift Assignments>> C :: 173.5 CA :: 51.8 CB :: 39.4 CG :: 177.6 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.47 HA :: 4.94 HB2 :: 3.03 HB3 :: 2.52 HD21 :: 7.60 HD22 :: 6.97 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 :: 115.2 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 K 0.23 C Shift Assignments>> C :: 171.4 CA :: 56.9 CB :: 30.1 CG :: 36.4 CE :: 25.8 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.44 HA :: 4.09 HB2 :: 2.64 HB3 :: 1.41 HG2 :: 2.52 HG3 :: 1.56 HE :: 1.91 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 :: 122.3 Ave N Shift Values>> N :: 120.1(3.88) F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.17 K 0.16 R 0.14 C 0.1 F 0.06 Y 0.04 N 0.02 C Shift Assignments>> C :: 174.7 CA :: 54.8 CB :: 42.3 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.51 HA :: 5.89 HB2 :: 3.21 HB3 :: 3.21 HD1 :: 7.15 HD2 :: 7.15 HE1 :: 7.34 HE2 :: 7.34 HZ :: 7.33 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 120.69(4.18) G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 172.8 CA :: 44.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.35 HA2 :: 4.67 HA3 :: 3.66 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.8 Ave N Shift Values>> N :: 109.91(4.29) T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 173.1 CA :: 62.3 CB :: 72.6 CG2 :: 22.3 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.08 HA :: 5.15 HB :: 3.82 HG2 :: 1.17 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.5 Ave N Shift Values>> N :: 115.7(5.05) I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 174.2 CA :: 59.9 CB :: 40.6 CG1 :: 28.4 CG2 :: 16.7 CD1 :: 15.4 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.19 HA :: 4.83 HB :: 1.54 HG2 :: 0.37 HG12 :: 0.84 HG13 :: 0.84 HD1 :: 0.63 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 :: 126.9 Ave N Shift Values>> N :: 121.6(4.72) V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.0 CA :: 61.6 CB :: 33.3 CG1 :: 20.9 CG2 :: 20.8 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 :: 9.63 HA :: 4.41 HB :: 1.91 HG1 :: 0.90 HG2 :: 0.82 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 :: 129.4 Ave N Shift Values>> N :: 121.02(4.96) V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 177.2 CA :: 60.4 CB :: 31.3 CG1 :: 22.0 CG2 :: 21.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.08 HA :: 4.73 HB :: 2.23 HG1 :: 0.13 HG2 :: 0.71 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 :: 128.2 Ave N Shift Values>> N :: 121.02(4.96) K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.11 M 0.02 C Shift Assignments>> C :: 175.3 CA :: 55.2 CB :: 33.5 CG :: 24.2 CD :: 28.4 CE :: 41.6 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.89 HA :: 4.34 HB2 :: 1.86 HB3 :: 1.64 HG2 :: 1.37 HG3 :: 1.37 HD2 :: 1.56 HD3 :: 1.56 HE2 :: 2.84 HE3 :: 2.80 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 :: 129.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.25 E 0.24 M 0.02 C Shift Assignments>> C :: 172.2 CA :: 58.6 CB :: 30.5 CG :: 38.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.40 HA :: 3.93 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 2.54 HG3 :: 2.54 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.9 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 4 #Suspicious: 10 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 133 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 1 C Shift Results: #Consistent: 528 #Duplicate: 19 #Unknown: 0 #Suspicious: 4 #Anomalous: 2 H Shift Results: #Consistent: 709 #Duplicate: 18 #Unknown: 0 #Suspicious: 14 #Anomalous: 3 N Shift Results: #Consistent: 135 #Duplicate: 3 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: V12 C = 176.0(D), Expected = 175.69, Std = 2.0300, ChiSquare = 8.7863e-01 V12 CA = 61.9(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.4869e-01 V12 CB = 32.5(D), Expected = 32.66, Std = 1.9100, ChiSquare = 9.3324e-01 V12 CG1 = 20.8(D), Expected = 21.38, Std = 1.5300, ChiSquare = 7.0462e-01 V12 CG2 = 20.4(D), Expected = 21.31, Std = 1.7600, ChiSquare = 6.0512e-01 V12 H = 7.95(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.3203e-01 V12 HA = 4.11(D), Expected = 4.16, Std = 0.5700, ChiSquare = 9.3010e-01 V12 HB = 2.02(D), Expected = 1.99, Std = 0.3300, ChiSquare = 9.2757e-01 V12 HG1 = 0.88(D), Expected = 0.84, Std = 0.2700, ChiSquare = 8.8223e-01 V12 HG2 = 0.90(D), Expected = 0.83, Std = 0.2900, ChiSquare = 8.0926e-01 V12 N = 119.6(D), Expected = 121.02, Std = 4.9600, ChiSquare = 7.7466e-01 I13 C = 174.5(D), Expected = 175.82, Std = 1.9500, ChiSquare = 4.9845e-01 I13 CA = 58.2(D), Expected = 61.59, Std = 2.7800, ChiSquare = 2.2268e-01 I13 CB = 38.3(D), Expected = 38.58, Std = 2.0900, ChiSquare = 8.9343e-01 I13 CG1 = 26.9(D), Expected = 27.65, Std = 2.3200, ChiSquare = 7.4649e-01 I13 CG2 = 16.9(D), Expected = 17.36, Std = 1.6000, ChiSquare = 7.7373e-01 I13 CD1 = 12.4(D), Expected = 13.41, Std = 1.9100, ChiSquare = 5.9695e-01 I13 H = 8.34(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.1029e-01 I13 HG2 = 0.95(D), Expected = 0.80, Std = 0.2900, ChiSquare = 6.0499e-01 I13 HG12 = 1.53(D), Expected = 1.30, Std = 0.4000, ChiSquare = 5.6529e-01 I13 HG13 = 1.19(D), Expected = 1.24, Std = 0.4000, ChiSquare = 9.0052e-01 I13 HD1 = 0.86(D), Expected = 0.70, Std = 0.3000, ChiSquare = 5.9380e-01 I13 N = 127.1(D), Expected = 121.60, Std = 4.7200, ChiSquare = 2.4392e-01 P14 C = 176.5(D), Expected = 176.70, Std = 1.6900, ChiSquare = 9.0580e-01 P14 CA = 63.0(D), Expected = 63.30, Std = 1.6400, ChiSquare = 8.5486e-01 P14 CB = 32.0(D), Expected = 31.81, Std = 1.5400, ChiSquare = 9.0181e-01 P14 CG = 27.2(D), Expected = 27.14, Std = 1.1800, ChiSquare = 9.5945e-01 P14 CD = 50.8(D), Expected = 50.28, Std = 1.0400, ChiSquare = 6.1707e-01 P14 HA = 4.38(D), Expected = 4.41, Std = 0.3600, ChiSquare = 9.3359e-01 P14 HB2 = 2.31(D), Expected = 2.05, Std = 0.3900, ChiSquare = 5.0499e-01 P14 HB3 = 2.04(D), Expected = 2.05, Std = 0.3900, ChiSquare = 9.7954e-01 P14 HG2 = 1.94(D), Expected = 1.93, Std = 0.3600, ChiSquare = 9.7784e-01 P14 HG3 = 1.94(D), Expected = 1.92, Std = 0.3700, ChiSquare = 9.5689e-01 P14 HD2 = 3.93(D), Expected = 3.64, Std = 0.3600, ChiSquare = 4.2050e-01 P14 HD3 = 3.69(D), Expected = 3.63, Std = 0.4000, ChiSquare = 8.8076e-01 A15 C = 178.4(D), Expected = 177.80, Std = 2.1800, ChiSquare = 7.8314e-01 A15 CA = 52.6(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.8574e-01 A15 CB = 19.1(D), Expected = 18.90, Std = 1.8500, ChiSquare = 9.1391e-01 A15 H = 8.39(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 A15 N = 124.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.3142e-01 P31 HB2 = 0.66(S), Expected = 2.05, Std = 0.3900, ChiSquare = 3.6510e-04 P31 HB3 = -0.27(M), Expected = 2.05, Std = 0.3900, ChiSquare = 2.7025e-09 W32 CE2 = 139.6(M), Expected = 137.38, Std = 2.8600, ChiSquare = 4.3762e-01 Y50 HB3 = 1.33(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.9524e-05 A55 CA = 46.2(S), Expected = 53.16, Std = 2.0600, ChiSquare = 7.2845e-04 A55 H = 10.52(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1033e-04 A55 HB = 0.16(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.0609e-06 T76 CG2 = 15.9(S), Expected = 21.44, Std = 1.3900, ChiSquare = 6.7307e-05 T76 HG2 = -0.48(S), Expected = 1.16, Std = 0.2800, ChiSquare = 4.7090e-09 S77 CA = 51.2(S), Expected = 58.57, Std = 2.1200, ChiSquare = 5.0817e-04 S77 HA = 6.44(M), Expected = 4.51, Std = 0.4300, ChiSquare = 7.1769e-06 V80 H = 11.63(M), Expected = 8.29, Std = 0.7100, ChiSquare = 2.5483e-06 H82 CB = 37.7(S), Expected = 29.95, Std = 2.1500, ChiSquare = 3.1257e-04 G83 HA2 = 5.31(S), Expected = 3.95, Std = 0.4000, ChiSquare = 6.7386e-04 R104 HA = 5.92(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7683e-04 I115 HB = 0.50(S), Expected = 1.80, Std = 0.3100, ChiSquare = 2.7462e-05 I115 HG2 = -0.54(S), Expected = 0.80, Std = 0.2900, ChiSquare = 3.8247e-06 I115 HG13 = -0.10(S), Expected = 1.24, Std = 0.4000, ChiSquare = 8.0812e-04 Y120 HA = 2.49(S), Expected = 4.63, Std = 0.5600, ChiSquare = 1.3268e-04 Y120 SRO Rule Break>> HA > HB2 : 0.992304403591278 Y120 SRO Rule Break>> HA > HB3 : 0.996503496503496 G122 H = 5.75(S), Expected = 8.34, Std = 0.7400, ChiSquare = 4.6526e-04 G124 H = 5.53(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.4628e-04 G124 HA3 = 1.80(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.0095e-07 H125 CE1 = 140.6(M), Expected = 136.05, Std = 3.5800, ChiSquare = 2.0375e-01