Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.37 C Shift Assignments>> C :: 173.8 CA :: 53.0 CB :: 39.3 CG :: 176.9 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>> HD21 :: 6.91 HD22 :: 7.61 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>> ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 C Shift Assignments>> CA :: 52.5 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 :: 8.36 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.0 Ave N Shift Values>> N :: 123.23(3.7) 1.A8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.79 M 0.18 C Shift Assignments>> C :: 177.5 CA :: 52.3 CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.31 HB1 :: 1.34 HB2 :: 1.34 HB3 :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.26 M 0.05 G 0.01 C Shift Assignments>> C :: 176.2 CA :: 56.3 CB :: 33.1 CG :: 24.8 CD :: 29.2 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.43 HA :: 4.28 HB2 :: 1.70 HB3 :: 1.76 HG2 :: 1.36 HG3 :: 1.36 HD2 :: 1.61 HD3 :: 1.61 HE2 :: 2.94 HE3 :: 2.94 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 :: 121.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.17 G 0.09 L 0.01 HN Overlap>> 1.Q12 1.Q12 C Shift Assignments>> C :: 175.6 CA :: 55.8 CB :: 30.7 CG :: 26.9 CD :: 43.2 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 :: 8.46 HA :: 4.22 HB2 :: 1.65 HB3 :: 1.65 HG2 :: 1.37 HG3 :: 1.51 HD2 :: 3.00 HD3 :: 3.00 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 :: 123.8 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.74 E 0.25 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> C :: 174.5 CA :: 55.7 CB :: 29.9 CG :: 33.4 CD :: 180.1 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 :: 8.42 HA :: 4.12 HB2 :: 1.71 HB3 :: 1.76 HG2 :: 1.95 HG3 :: 1.95 HE21 :: 7.28 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 :: 123.9 NE2 :: 112.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.26 M 0.05 G 0.01 C Shift Assignments>> C :: 175.7 CA :: 55.1 CB :: 34.0 CG :: 24.8 CD :: 29.6 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.97 HA :: 4.44 HB2 :: 1.51 HB3 :: 1.51 HG2 :: 0.90 HG3 :: 1.11 HD2 :: 1.50 HD3 :: 1.50 HE2 :: 2.72 HE3 :: 2.72 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) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.7 CA :: 58.1 CB :: 40.2 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.1 CE2 :: 118.1 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 :: 9.50 HA :: 4.50 HB2 :: 2.76 HB3 :: 2.82 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 6.69 HE2 :: 6.69 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 :: 123.9 Ave N Shift Values>> N :: 120.79(4.69) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 L 0.35 M 0.12 K 0.02 C Shift Assignments>> C :: 176.2 CA :: 50.7 CB :: 22.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.15 HA :: 5.22 HB1 :: 1.23 HB2 :: 1.23 HB3 :: 1.23 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1 Ave N Shift Values>> N :: 123.23(3.7) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.48 C Shift Assignments>> C :: 173.7 CA :: 53.7 CB :: 31.2 CG :: 33.2 CE :: 17.2 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.99 HA :: 4.72 HB2 :: 1.64 HB3 :: 2.44 HG2 :: 2.40 HG3 :: 2.58 HE1 :: 1.82 HE2 :: 1.82 HE3 :: 1.82 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.2 Ave N Shift Values>> N :: 120.1(3.88) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.14 M 0.05 G 0.02 A 0.01 C Shift Assignments>> CA :: 53.4 CB :: 33.6 CG :: 24.2 CD :: 29.2 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 :: 6.79 HA :: 4.83 HB2 :: 1.56 HB3 :: 1.88 HG2 :: 1.27 HG3 :: 1.35 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.88 HE3 :: 2.88 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 :: 123.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.2 CA :: 64.0 CB :: 32.0 CG :: 27.8 CD :: 50.7 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 :: 4.37 HB2 :: 1.84 HB3 :: 2.33 HG2 :: 1.98 HG3 :: 2.07 HD2 :: 3.62 HD3 :: 3.87 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) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.9 CA :: 45.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.60 HA2 :: 3.84 HA3 :: 3.92 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.9 Ave N Shift Values>> N :: 109.91(4.29) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.16 R 0.16 A 0.12 C Shift Assignments>> C :: 177.5 CA :: 54.8 CB :: 43.5 CG :: 26.3 CD1 :: 26.8 CD2 :: 22.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.09 HA :: 4.39 HB2 :: 1.65 HB3 :: 1.77 HG :: 2.02 HD11 :: 1.21 HD12 :: 1.21 HD13 :: 1.21 HD21 :: 0.90 HD22 :: 0.90 HD23 :: 0.90 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 :: 119.2 Ave N Shift Values>> N :: 121.98(4.07) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.6 CA :: 57.4 CB :: 65.2 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.19 HA :: 4.48 HB2 :: 4.10 HB3 :: 4.39 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 :: 118.6 Ave N Shift Values>> N :: 116.3(3.95) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.09 V 0.01 C Shift Assignments>> C :: 180.2 CA :: 56.1 CB :: 17.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.95 HA :: 4.00 HB1 :: 1.47 HB2 :: 1.47 HB3 :: 1.47 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 123.23(3.7) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 G 0.02 HN Overlap>> 1.N26 1.Y111 1.N26 1.Y111 C Shift Assignments>> C :: 180.8 CA :: 58.2 CB :: 42.2 CG :: 27.1 CD1 :: 25.0 CD2 :: 23.9 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.08 HA :: 4.08 HB2 :: 1.56 HB3 :: 1.72 HG :: 1.75 HD11 :: 0.95 HD12 :: 0.95 HD13 :: 0.95 HD21 :: 0.88 HD22 :: 0.88 HD23 :: 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 :: 116.7 Ave N Shift Values>> N :: 121.98(4.07) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.37 M 0.06 K 0.02 C Shift Assignments>> C :: 179.9 CA :: 59.1 CB :: 30.7 CG :: 37.6 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 :: 4.12 HB2 :: 2.11 HB3 :: 2.36 HG2 :: 2.30 HG3 :: 2.36 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.0 Ave N Shift Values>> N :: 120.68(3.68) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.82 K 0.1 G 0.06 C Shift Assignments>> C :: 178.5 CA :: 61.2 CB :: 33.3 CG :: 27.8 CD :: 30.7 CE :: 42.3 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.88 HA :: 3.77 HB2 :: 1.48 HB3 :: 2.01 HG2 :: 1.34 HG3 :: 1.74 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 3.07 HE3 :: 3.07 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) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 D 0.17 HN Overlap>> 1.Y111 1.L23 1.Y111 1.L23 C Shift Assignments>> C :: 177.7 CA :: 55.8 CB :: 37.6 CG :: 175.7 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 :: 8.08 HA :: 4.35 HB2 :: 2.80 HB3 :: 3.03 HD21 :: 7.60 HD22 :: 6.95 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.7 ND2 :: 110.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.4 I 0.03 C Shift Assignments>> C :: 180.2 CA :: 55.0 CB :: 18.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.57 HA :: 4.09 HB1 :: 1.62 HB2 :: 1.62 HB3 :: 1.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.4 Ave N Shift Values>> N :: 123.23(3.7) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.0 CA :: 66.4 CB :: 31.5 CG1 :: 22.8 CG2 :: 23.3 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 :: 7.86 HA :: 3.35 HB :: 2.18 HG11 :: 0.74 HG12 :: 0.74 HG13 :: 0.74 HG21 :: 1.21 HG22 :: 1.21 HG23 :: 1.21 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 :: 120.5 Ave N Shift Values>> N :: 121.02(4.96) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q35 1.Q35 C Shift Assignments>> C :: 177.1 CA :: 65.0 CB :: 37.2 CG1 :: 29.3 CG2 :: 18.3 CD1 :: 12.8 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 :: 7.82 HA :: 3.18 HB :: 1.77 HG12 :: 0.75 HG13 :: 1.33 HG21 :: 0.61 HG22 :: 0.61 HG23 :: 0.61 HD11 :: 0.49 HD12 :: 0.49 HD13 :: 0.49 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 121.6(4.72) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 G 0.02 M 0.01 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> C :: 179.1 CA :: 60.0 CB :: 32.1 CG :: 25.7 CD :: 29.4 CE :: 42.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.92 HA :: 3.93 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.49 HG3 :: 1.59 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.96 HE3 :: 2.96 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 :: 117.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.32 I 0.04 C Shift Assignments>> C :: 180.8 CA :: 54.9 CB :: 17.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.53 HA :: 3.74 HB1 :: 0.76 HB2 :: 0.76 HB3 :: 0.76 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) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.18 I 0.06 C Shift Assignments>> C :: 179.0 CA :: 55.6 CB :: 16.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.92 HA :: 3.94 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 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 :: 123.8 Ave N Shift Values>> N :: 123.23(3.7) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 H 0.02 HN Overlap>> 1.K30 1.K30 C Shift Assignments>> C :: 178.8 CA :: 59.3 CB :: 36.8 CD1 :: 130.7 CD2 :: 130.7 CE1 :: 118.4 CE2 :: 118.4 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 :: 7.94 HA :: 4.66 HB2 :: 3.29 HB3 :: 3.53 HD1 :: 7.04 HD2 :: 7.04 HE1 :: 6.74 HE2 :: 6.74 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 :: 117.1 Ave N Shift Values>> N :: 120.79(4.69) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.18 K 0.12 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 178.6 CA :: 60.2 CB :: 30.0 CG :: 28.3 CD :: 43.4 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 :: 8.41 HA :: 3.70 HB2 :: 1.77 HB3 :: 1.77 HG2 :: 1.33 HG3 :: 1.78 HD2 :: 3.08 HD3 :: 3.20 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 :: 117.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.28 Q 0.03 M 0.03 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 176.0 CA :: 57.3 CB :: 27.0 CG :: 31.0 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 :: 7.87 HA :: 4.13 HB2 :: 1.75 HB3 :: 2.16 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 :: 119.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.5 CA :: 61.9 CB :: 37.2 CG1 :: 27.7 CG2 :: 17.2 CD1 :: 11.3 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 :: 7.84 HA :: 3.43 HB :: 1.45 HG12 :: 1.11 HG13 :: 1.37 HG21 :: -0.08 HG22 :: -0.08 HG23 :: -0.08 HD11 :: 0.50 HD12 :: 0.50 HD13 :: 0.50 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 :: 115.4 Ave N Shift Values>> N :: 121.6(4.72) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 Y 0.35 C Shift Assignments>> C :: 176.2 CA :: 57.3 CB :: 40.0 CD1 :: 131.6 CD2 :: 131.6 CE1 :: 131.8 CE2 :: 131.8 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.28 HA :: 4.73 HB2 :: 3.20 HB3 :: 3.25 HD1 :: 7.31 HD2 :: 7.31 HE1 :: 7.38 HE2 :: 7.38 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 :: 109.0 Ave N Shift Values>> N :: 120.69(4.18) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 E 0.21 K 0.2 Q 0.03 M 0.02 L 0.01 R 0.01 C Shift Assignments>> C :: 174.9 CA :: 58.2 CB :: 26.1 CG :: 36.5 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 :: 7.31 HA :: 4.32 HB2 :: 2.34 HB3 :: 2.53 HG2 :: 1.84 HG3 :: 2.21 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 :: 111.3 Ave N Shift Values>> N :: 120.68(3.68) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.31 G 0.17 C Shift Assignments>> C :: 173.3 CA :: 54.6 CB :: 32.0 CG :: 25.4 CD :: 43.5 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 :: 7.53 HA :: 4.49 HB2 :: 1.70 HB3 :: 2.02 HG2 :: 1.19 HG3 :: 1.49 HD2 :: 3.06 HD3 :: 3.06 HE :: 7.15 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 :: 113.7 NE :: 85.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.15 K 0.09 F 0.09 Y 0.08 R 0.01 HN Overlap>> 1.Q109 1.Q109 C Shift Assignments>> C :: 177.0 CA :: 54.1 CB :: 40.8 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 :: 4.67 HB2 :: 2.53 HB3 :: 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 :: 117.3 Ave N Shift Values>> N :: 120.73(4.2) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.7 CA :: 60.5 CB :: 38.0 CG1 :: 25.9 CG2 :: 17.8 CD1 :: 13.2 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 :: 7.08 HA :: 4.06 HB :: 1.43 HG12 :: 0.35 HG13 :: 0.50 HG21 :: 0.35 HG22 :: 0.35 HG23 :: 0.35 HD11 :: -0.09 HD12 :: -0.09 HD13 :: -0.09 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 :: 120.4 Ave N Shift Values>> N :: 121.6(4.72) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.2 CA :: 63.2 CB :: 70.0 CG2 :: 21.9 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 :: 7.83 HA :: 3.95 HB :: 4.22 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.9 Ave N Shift Values>> N :: 115.7(5.05) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.35 M 0.04 G 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.8 CB :: 32.0 CG :: 24.8 CD :: 29.0 CE :: 42.0 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.13 HA :: 4.03 HB2 :: 1.73 HB3 :: 1.79 HG2 :: 1.36 HG3 :: 1.36 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.94 HE3 :: 2.94 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C Shift Assignments>> C :: 177.8 CA :: 52.9 CB :: 18.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.93 HA :: 4.16 HB1 :: 1.16 HB2 :: 1.16 HB3 :: 1.16 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.7) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.S73 1.S73 C Shift Assignments>> C :: 176.2 CA :: 58.7 CB :: 38.6 CD1 :: 132.9 CD2 :: 132.9 CE1 :: 118.3 CE2 :: 118.3 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 :: 7.75 HA :: 4.33 HB2 :: 2.89 HB3 :: 2.89 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 6.70 HE2 :: 6.70 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) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.1 CB :: 64.2 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.80 HA :: 4.34 HB2 :: 3.77 HB3 :: 4.02 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) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.67 E 0.32 C Shift Assignments>> C :: 178.4 CA :: 59.0 CB :: 28.3 CG :: 33.9 CD :: 180.3 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> HA :: 4.10 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.42 HG3 :: 2.42 HE21 :: 7.50 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>> NE2 :: 112.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D129 1.D129 C Shift Assignments>> C :: 176.7 CA :: 61.2 CB :: 62.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.28 HA :: 4.34 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 :: 114.3 Ave N Shift Values>> N :: 116.3(3.95) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.1 CA :: 62.9 CB :: 37.5 CG1 :: 28.3 CG2 :: 18.2 CD1 :: 12.5 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 :: 7.59 HA :: 4.23 HB :: 1.97 HG12 :: 1.19 HG13 :: 1.48 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 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) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.4 CA :: 62.1 CB :: 62.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.01 HA :: 4.14 HB2 :: 3.95 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 :: 116.8 Ave N Shift Values>> N :: 116.3(3.95) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.3 CA :: 60.9 CB :: 37.7 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 118.3 CE2 :: 118.3 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 :: 8.30 HA :: 4.41 HB2 :: 3.09 HB3 :: 3.22 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 6.79 HE2 :: 6.79 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.0 Ave N Shift Values>> N :: 120.79(4.69) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 G 0.03 C Shift Assignments>> C :: 178.6 CA :: 57.7 CB :: 42.5 CG :: 27.0 CD1 :: 25.6 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 :: 7.75 HA :: 4.18 HB2 :: 1.78 HB3 :: 2.19 HG :: 1.94 HD11 :: 0.97 HD12 :: 0.97 HD13 :: 0.97 HD21 :: 0.99 HD22 :: 0.99 HD23 :: 0.99 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 121.98(4.07) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 E 0.36 K 0.02 M 0.01 C Shift Assignments>> C :: 178.6 CA :: 59.6 CB :: 29.5 CG :: 37.9 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 :: 8.85 HA :: 3.72 HB2 :: 2.18 HB3 :: 2.54 HG2 :: 2.12 HG3 :: 2.36 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 120.68(3.68) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.2 CA :: 61.9 CB :: 62.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.09 HA :: 4.14 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 :: 114.7 Ave N Shift Values>> N :: 116.3(3.95) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.56 E 0.43 C Shift Assignments>> C :: 178.9 CA :: 59.2 CB :: 30.1 CG :: 34.8 CD :: 179.0 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 :: 7.60 HA :: 4.22 HB2 :: 1.79 HB3 :: 2.40 HG2 :: 2.03 HG3 :: 2.18 HE21 :: 7.00 HE22 :: 6.47 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.6 NE2 :: 109.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y133 1.K110 1.Y133 1.K110 C Shift Assignments>> C :: 178.3 CA :: 63.6 CB :: 31.8 CG1 :: 19.7 CG2 :: 22.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.94 HA :: 4.22 HB :: 1.24 HG11 :: -0.02 HG12 :: -0.02 HG13 :: -0.02 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 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 :: 120.4 Ave N Shift Values>> N :: 121.02(4.96) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.25 G 0.18 C Shift Assignments>> C :: 177.4 CA :: 60.2 CB :: 30.6 CG :: 29.7 CD :: 43.2 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 :: 3.70 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 1.36 HG3 :: 1.55 HD2 :: 3.14 HD3 :: 3.27 HE :: 7.93 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 :: 123.8 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) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.34 C Shift Assignments>> C :: 175.9 CA :: 53.2 CB :: 38.9 CG :: 176.9 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 :: 7.80 HA :: 4.67 HB2 :: 2.78 HB3 :: 2.87 HD21 :: 7.87 HD22 :: 6.79 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 :: 113.4 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.3 CA :: 45.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.42 HA2 :: 3.87 HA3 :: 4.15 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.3 Ave N Shift Values>> N :: 109.91(4.29) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 F 0.14 R 0.14 Y 0.11 D 0.09 I 0.01 C Shift Assignments>> C :: 176.8 CA :: 57.0 CB :: 41.9 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 :: 8.40 HA :: 4.36 HB2 :: 2.45 HB3 :: 2.71 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 :: 121.1 Ave N Shift Values>> N :: 120.73(4.2) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 A 0.02 G 0.01 C Shift Assignments>> C :: 174.0 CA :: 58.6 CB :: 41.5 CG2 :: 16.8 CD1 :: 13.3 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 :: 7.02 HA :: 4.66 HB :: 1.88 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 107.6 Ave N Shift Values>> N :: 121.6(4.72) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.5 CA :: 56.5 CB :: 65.9 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 HA :: 4.52 HB2 :: 4.01 HB3 :: 4.01 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 :: 117.5 Ave N Shift Values>> N :: 116.3(3.95) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.38 C Shift Assignments>> C :: 176.3 CA :: 56.6 CB :: 29.0 CG :: 28.7 CE :: 15.4 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.63 HA :: 4.60 HB2 :: 1.61 HB3 :: 1.61 HG2 :: 1.88 HG3 :: 2.37 HE1 :: 1.60 HE2 :: 1.60 HE3 :: 1.60 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 :: 120.9 Ave N Shift Values>> N :: 120.1(3.88) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.22 M 0.04 G 0.02 C Shift Assignments>> C :: 177.1 CA :: 59.8 CB :: 33.4 CG :: 24.4 CD :: 29.7 CE :: 42.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.12 HA :: 4.02 HB2 :: 2.37 HB3 :: 2.37 HG2 :: 0.84 HG3 :: 1.23 HD2 :: 1.52 HD3 :: 1.68 HE2 :: 2.65 HE3 :: 2.76 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 :: 121.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 K 0.22 Q 0.21 M 0.08 I 0.06 R 0.01 C Shift Assignments>> C :: 178.4 CA :: 57.6 CB :: 29.5 CG :: 35.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.58 HA :: 4.07 HB2 :: 2.07 HB3 :: 2.07 HG2 :: 2.40 HG3 :: 2.40 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 :: 117.1 Ave N Shift Values>> N :: 120.68(3.68) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.5 CA :: 61.0 CB :: 39.1 CD1 :: 131.9 CD2 :: 131.9 CE1 :: 131.1 CE2 :: 131.1 CZ :: 129.3 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 :: 8.64 HA :: 4.25 HB2 :: 2.91 HB3 :: 3.84 HD1 :: 7.26 HD2 :: 7.26 HE1 :: 6.93 HE2 :: 6.93 HZ :: 7.15 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 :: 122.9 Ave N Shift Values>> N :: 120.69(4.18) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.6 CB :: 31.2 CG1 :: 20.4 CG2 :: 22.5 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.98 HA :: 3.00 HB :: 2.39 HG11 :: 0.73 HG12 :: 0.73 HG13 :: 0.73 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 121.02(4.96) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 G 0.29 K 0.16 C Shift Assignments>> C :: 177.6 CA :: 59.2 CB :: 31.6 CG :: 25.5 CD :: 43.9 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.02 HA :: 3.29 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.50 HG3 :: 1.50 HD2 :: 2.98 HD3 :: 3.40 HE :: 7.85 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 :: 117.7 NE :: 78.7 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 G 0.2 K 0.16 HN Overlap>> 1.H96 1.H96 C Shift Assignments>> C :: 180.8 CA :: 59.0 CB :: 30.8 CG :: 28.7 CD :: 43.7 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 :: 8.02 HA :: 3.83 HB2 :: 1.75 HB3 :: 2.01 HG2 :: 1.76 HG3 :: 2.02 HD2 :: 2.89 HD3 :: 3.33 HE :: 8.29 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.8 NE :: 85.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.04 G 0.04 A 0.01 C Shift Assignments>> C :: 180.7 CA :: 58.0 CB :: 42.3 CG :: 25.9 CD1 :: 24.8 CD2 :: 22.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.07 HA :: 3.87 HB2 :: 1.07 HB3 :: 1.68 HG :: 1.31 HD11 :: 0.12 HD12 :: 0.12 HD13 :: 0.12 HD21 :: 0.78 HD22 :: 0.78 HD23 :: 0.78 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 121.98(4.07) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.38 C Shift Assignments>> C :: 174.0 CA :: 53.3 CB :: 17.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.12 HA :: 3.26 HB1 :: 0.71 HB2 :: 0.71 HB3 :: 0.71 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.7) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.26 M 0.01 G 0.01 C Shift Assignments>> C :: 177.6 CA :: 56.1 CB :: 34.8 CG :: 27.3 CD :: 30.2 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 :: 6.62 HA :: 4.12 HB2 :: 1.51 HB3 :: 2.02 HG2 :: 0.84 HG3 :: 1.76 HE2 :: 2.46 HE3 :: 2.46 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 :: 109.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y45 1.Y45 C Shift Assignments>> CA :: 58.6 CB :: 63.2 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 :: 4.54 HB2 :: 4.34 HB3 :: 4.38 HG :: 6.24 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 :: 117.8 Ave N Shift Values>> N :: 116.3(3.95) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.6 CA :: 65.7 CB :: 32.0 CG :: 28.0 CD :: 50.7 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 HB2 :: 2.07 HB3 :: 2.43 HG2 :: 2.10 HG3 :: 2.26 HD2 :: 4.02 HD3 :: 4.02 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) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 G 0.01 C Shift Assignments>> C :: 178.5 CA :: 58.1 CB :: 41.8 CG :: 27.0 CD1 :: 23.4 CD2 :: 24.9 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.64 HA :: 4.03 HB2 :: 1.45 HB3 :: 1.45 HG :: 1.26 HD11 :: 0.61 HD12 :: 0.61 HD13 :: 0.61 HD21 :: 0.08 HD22 :: 0.08 HD23 :: 0.08 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) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 F 0.13 Y 0.11 C Shift Assignments>> C :: 178.1 CA :: 63.4 CB :: 38.9 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 :: 7.90 HA :: 3.95 HB2 :: 3.14 HB3 :: 3.14 HD1 :: 7.16 HD2 :: 7.16 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 120.79(4.69) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.18 G 0.17 C Shift Assignments>> C :: 179.5 CA :: 59.7 CB :: 30.9 CG :: 28.5 CD :: 43.5 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 :: 8.70 HA :: 3.97 HB2 :: 1.90 HB3 :: 2.02 HG2 :: 1.72 HG3 :: 1.72 HD2 :: 3.29 HD3 :: 3.38 HE :: 7.89 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 :: 119.0 NE :: 84.4 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.29 M 0.02 G 0.01 C Shift Assignments>> CA :: 59.0 CB :: 32.6 CG :: 25.0 CD :: 29.0 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 :: 8.67 HA :: 4.04 HB2 :: 1.83 HB3 :: 1.92 HG2 :: 1.48 HG3 :: 1.48 HD2 :: 1.62 HD3 :: 1.62 HE2 :: 2.93 HE3 :: 2.93 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.69 E 0.3 HN Overlap>> 1.R100 1.R100 C Shift Assignments>> C :: 177.4 CA :: 57.6 CB :: 30.5 CG :: 34.0 CD :: 179.2 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.41 HA :: 3.97 HB2 :: 1.07(S) HB3 :: 1.57 HG2 :: 1.63 HG3 :: 2.05 HE21 :: 6.84 HE22 :: 6.56 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 :: 113.9 NE2 :: 109.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.0 CA :: 57.8 CB :: 39.8 CD1 :: 131.6 CD2 :: 131.6 CE1 :: 131.3 CE2 :: 131.3 CZ :: 132.4 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.48 HA :: 5.14 HB2 :: 1.45(S) HB3 :: 3.25 HD1 :: 6.96 HD2 :: 6.96 HE1 :: 7.44 HE2 :: 7.44 HZ :: 6.21 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 :: 110.8 Ave N Shift Values>> N :: 120.69(4.18) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 F 0.21 Y 0.09 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> C :: 174.0 CA :: 60.9 CB :: 44.7 CD1 :: 132.2 CD2 :: 132.2 CE1 :: 131.0 CE2 :: 131.0 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 :: 7.69 HA :: 5.11 HB2 :: 2.97 HB3 :: 3.61 HD1 :: 7.30 HD2 :: 7.30 HE1 :: 6.99 HE2 :: 6.99 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.69(4.18) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 E 0.29 K 0.04 C Shift Assignments>> CA :: 60.4 CB :: 28.5 CG :: 37.1 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.05 HA :: 4.07 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.42 HG3 :: 2.42 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 :: 120.8 Ave N Shift Values>> N :: 120.68(3.68) 1.P83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.9 CA :: 64.5 CB :: 30.8 CG :: 27.8 CD :: 50.9 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 :: 4.26 HB2 :: 0.33(S) HB3 :: 1.83 HG2 :: 1.30 HG3 :: 1.61 HD2 :: 2.80 HD3 :: 3.69 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) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.34 G 0.09 C Shift Assignments>> C :: 176.1 CA :: 56.1 CB :: 43.0 CD1 :: 131.4 CD2 :: 131.4 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 :: 7.04 HA :: 4.99 HB2 :: 2.31 HB3 :: 3.30 HD1 :: 6.98 HD2 :: 6.98 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 :: 113.9 Ave N Shift Values>> N :: 120.69(4.18) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.3 CA :: 62.3 CB :: 38.4 CG1 :: 26.9 CG2 :: 17.6 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 :: 8.29 HA :: 4.16 HB :: 2.10 HG12 :: 1.36 HG13 :: 1.36 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 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 :: 118.2 Ave N Shift Values>> N :: 121.6(4.72) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.24 C Shift Assignments>> C :: 177.4 CA :: 56.4 CB :: 38.1 CG :: 175.3 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.96 HA :: 4.38 HB2 :: 2.65 HB3 :: 2.80 HD21 :: 7.44 HD22 :: 6.89 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 :: 121.4 ND2 :: 110.7 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1 CA :: 61.2 CB :: 62.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.85 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 :: 114.1 Ave N Shift Values>> N :: 116.3(3.95) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.23 G 0.05 L 0.01 C Shift Assignments>> C :: 177.3 CA :: 57.2 CB :: 30.5 CG :: 26.9 CD :: 42.8 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 :: 7.35 HA :: 4.38 HB2 :: 1.85 HB3 :: 1.96 HG2 :: 1.37 HG3 :: 1.57 HD2 :: 3.00 HD3 :: 3.23 HE :: 6.93 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 :: 123.4 NE :: 84.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 V 0.02 L 0.01 T 0.01 C Shift Assignments>> C :: 181.1 CA :: 55.7 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 :: 8.50 HA :: 4.11 HB1 :: 1.53 HB2 :: 1.53 HB3 :: 1.53 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) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 L 0.41 K 0.05 G 0.03 HN Overlap>> 1.E139 1.E139 C Shift Assignments>> CA :: 59.2 CB :: 42.1 CG :: 27.5 CD1 :: 27.1 CD2 :: 26.5 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 :: 4.19 HB2 :: 1.87 HB3 :: 2.00 HG :: 1.85 HD11 :: 1.11 HD12 :: 1.11 HD13 :: 1.11 HD21 :: 0.98 HD22 :: 0.98 HD23 :: 0.98 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 :: 119.2 Ave N Shift Values>> N :: 121.98(4.07) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 E 0.38 K 0.1 Q 0.04 M 0.01 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> C :: 178.5 CA :: 60.5 CB :: 29.0 CG :: 36.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.73 HA :: 3.61 HB2 :: 2.12 HB3 :: 2.22 HG2 :: 2.05 HG3 :: 2.36 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 120.68(3.68) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.31 G 0.04 C Shift Assignments>> C :: 177.9 CA :: 57.7 CB :: 42.7 CG :: 27.4 CD1 :: 26.3 CD2 :: 23.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.18 HA :: 3.60 HB2 :: 0.85 HB3 :: 2.01 HG :: 1.48 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 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 :: 117.9 Ave N Shift Values>> N :: 121.98(4.07) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.25 I 0.07 C Shift Assignments>> C :: 179.0 CA :: 55.7 CB :: 17.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.03 HA :: 4.11 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 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 :: 122.4 Ave N Shift Values>> N :: 123.23(3.7) 1.F94 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.2 CA :: 63.4 CB :: 37.6 CD1 :: 130.6 CD2 :: 130.3 CE1 :: 130.8 CE2 :: 130.8 CZ :: 129.7 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.30 HA :: 3.58 HB2 :: 3.16 HB3 :: 3.96 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.70 HE2 :: 6.70 HZ :: 6.36 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.19 K 0.1 C Shift Assignments>> C :: 178.8 CA :: 60.3 CB :: 29.8 CG :: 28.2 CD :: 43.4 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.85 HA :: 3.42 HB2 :: 1.46 HB3 :: 1.46 HG2 :: 1.21 HG3 :: 1.53 HD2 :: 2.89 HD3 :: 2.89 HE :: 7.61 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 :: 116.9 NE :: 84.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> C :: 174.7 CA :: 57.8 CB :: 29.6 CD2 :: 119.9 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 :: 8.07 HA :: 4.34 HB2 :: 3.04 HB3 :: 3.04 HD2 :: 7.31 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.8 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 172.8 CA :: 64.0 CB :: 38.0 CG1 :: 29.1 CG2 :: 19.1 CD1 :: 13.7 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 :: 8.18 HA :: 3.75 HB :: 1.62 HG12 :: 0.55 HG13 :: 1.43 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 HD11 :: 0.55 HD12 :: 0.55 HD13 :: 0.55 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 121.6(4.72) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.46 R 0.03 A 0.02 C Shift Assignments>> C :: 178.1 CA :: 53.7 CB :: 44.8 CG :: 27.3 CD1 :: 25.4 CD2 :: 23.5 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 :: 7.81 HA :: 4.83 HB2 :: 1.35 HB3 :: 1.68 HG :: 1.38 HD11 :: 0.55 HD12 :: 0.55 HD13 :: 0.55 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 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 :: 110.6 Ave N Shift Values>> N :: 121.98(4.07) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.06 C Shift Assignments>> C :: 173.7 CA :: 46.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.27 HA2 :: 3.75 HA3 :: 4.53 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.2 Ave N Shift Values>> N :: 109.91(4.29) 1.R100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.56 K 0.28 G 0.15 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> C :: 173.4 CA :: 53.9 CB :: 32.2 CG :: 26.1 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 :: 7.40 HA :: 4.72 HB2 :: 1.64 HB3 :: 1.64 HG2 :: 1.06 HG3 :: 1.20 HD2 :: 2.72 HD3 :: 2.94 HE :: 9.56(S) 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 :: 114.0 NE :: 86.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.3 G 0.13 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.32 HA2 :: 3.62 HA3 :: 4.37 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.8 Ave N Shift Values>> N :: 109.91(4.29) 1.P102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4 CA :: 62.6 CB :: 31.8 CG :: 26.7 CD :: 49.2 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 :: 3.76 HB2 :: 1.16 HB3 :: 1.44 HG2 :: 0.70(S) HG3 :: 1.65 HD2 :: 3.12 HD3 :: 3.44 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) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.0 CA :: 59.2 CB :: 65.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.66 HA :: 4.40 HB2 :: 3.78 HB3 :: 3.96 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 :: 117.2 Ave N Shift Values>> N :: 116.3(3.95) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.2 CA :: 57.1 CB :: 66.0 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.37 HA :: 4.64 HB2 :: 4.08 HB3 :: 4.24 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 :: 113.1 Ave N Shift Values>> N :: 116.3(3.95) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.15 G 0.1 L 0.04 C Shift Assignments>> C :: 178.5 CA :: 58.9 CB :: 29.6 CG :: 27.1 CD :: 43.2 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 :: 9.09 HA :: 4.00 HB2 :: 1.79 HB3 :: 1.86 HG2 :: 1.61 HG3 :: 1.69 HD2 :: 3.18 HD3 :: 3.18 HE :: 7.21 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.8 NE :: 84.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 E 0.3 K 0.03 C Shift Assignments>> C :: 179.1 CA :: 60.4 CB :: 28.8 CG :: 37.2 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 :: 8.78 HA :: 4.00 HB2 :: 1.92 HB3 :: 2.10 HG2 :: 2.25 HG3 :: 2.42 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.68(3.68) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 E 0.17 K 0.01 M 0.01 C Shift Assignments>> C :: 178.5 CA :: 60.1 CB :: 30.4 CG :: 39.0 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.15 HA :: 4.24 HB2 :: 2.15 HB3 :: 2.15 HG2 :: 2.42 HG3 :: 2.55 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 :: 122.9 Ave N Shift Values>> N :: 120.68(3.68) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.8 CB :: 31.6 CG1 :: 21.3 CG2 :: 23.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.84 HA :: 3.42 HB :: 2.14 HG11 :: 0.79 HG12 :: 0.79 HG13 :: 0.79 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 121.02(4.96) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.66 E 0.33 HN Overlap>> 1.D40 1.V124 1.D40 1.V124 C Shift Assignments>> C :: 179.0 CA :: 59.2 CB :: 28.2 CG :: 34.1 CD :: 180.2 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.33 HA :: 4.00 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.42 HG3 :: 2.50 HE21 :: 7.44 HE22 :: 6.86 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 :: 117.2 NE2 :: 111.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.24 M 0.05 G 0.01 HN Overlap>> 1.V56 1.Y133 1.V56 1.Y133 C Shift Assignments>> C :: 179.4 CA :: 59.4 CB :: 32.4 CG :: 24.6 CD :: 29.7 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 :: 7.99 HA :: 4.05 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 0.64 HG3 :: 1.29 HD2 :: 1.54 HD3 :: 1.62 HE2 :: 2.69 HE3 :: 2.69 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 :: 120.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.N26 1.N26 1.L23 1.L23 C Shift Assignments>> C :: 177.9 CA :: 62.3 CB :: 38.8 CD1 :: 133.1 CD2 :: 133.1 CE1 :: 118.6 CE2 :: 118.6 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>> H :: 8.16 HA :: 4.28 HB2 :: 3.08 HB3 :: 3.08 HD1 :: 7.47 HD2 :: 7.47 HE1 :: 6.78 HE2 :: 6.78 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 :: 116.7 Ave N Shift Values>> N :: 120.79(4.69) 1.F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 Y 0.36 C Shift Assignments>> C :: 179.2 CA :: 61.0 CB :: 38.6 CD1 :: 131.0 CD2 :: 131.0 CE1 :: 131.4 CE2 :: 131.4 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 :: 9.71 HA :: 4.36 HB2 :: 3.23 HB3 :: 3.30 HD1 :: 7.14 HD2 :: 7.14 HE1 :: 7.32 HE2 :: 7.32 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.0 Ave N Shift Values>> N :: 120.69(4.18) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.7 CA :: 62.0 CB :: 62.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.10 HA :: 4.21 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 :: 116.2 Ave N Shift Values>> N :: 116.3(3.95) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.2 CA :: 65.3 CB :: 38.7 CG1 :: 28.7 CG2 :: 16.8 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 :: 7.12 HA :: 3.75 HB :: 1.98 HG12 :: 0.97 HG13 :: 1.70 HG21 :: 0.76 HG22 :: 0.76 HG23 :: 0.76 HD11 :: 0.51 HD12 :: 0.51 HD13 :: 0.51 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 121.6(4.72) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.4 CA :: 64.8 CB :: 31.8 CG1 :: 21.2 CG2 :: 24.4 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.37 HA :: 3.92 HB :: 2.19 HG11 :: 1.11 HG12 :: 1.11 HG13 :: 1.11 HG21 :: 1.23 HG22 :: 1.23 HG23 :: 1.23 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 :: 120.3 Ave N Shift Values>> N :: 121.02(4.96) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> C :: 175.0 CA :: 61.8 CB :: 62.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.34 HA :: 4.13 HB2 :: 3.74 HB3 :: 3.85 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 :: 117.7 Ave N Shift Values>> N :: 116.3(3.95) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.0 CA :: 59.9 CB :: 63.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.57 HA :: 4.50 HB2 :: 3.89 HB3 :: 3.89 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.2 Ave N Shift Values>> N :: 116.3(3.95) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 175.0 CA :: 45.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.36 HA2 :: 3.56 HA3 :: 4.56 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.8 Ave N Shift Values>> N :: 109.91(4.29) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> CA :: 45.0 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.23 HA2 :: 4.10 HA3 :: 4.29 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.5 Ave N Shift Values>> N :: 109.91(4.29) 1.L120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.7 V 0.15 A 0.11 M 0.01 HN Overlap>> 1.H150 1.H150 C Shift Assignments>> CA :: 58.8 CB :: 37.6 CG :: 27.3 CD1 :: 22.0 CD2 :: 25.4 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 :: 8.31 HA :: 3.80 HB2 :: 1.42 HB3 :: -0.18(S) HG :: 1.18 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 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 :: 120.0 Ave N Shift Values>> N :: 121.98(4.07) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.1 CA :: 66.8 CB :: 30.7 CG :: 28.7 CD :: 49.9 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 :: 3.87 HB2 :: 1.92 HB3 :: 2.19 HG2 :: 2.16 HG3 :: 2.16 HD2 :: 3.63 HD3 :: 3.91 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) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 L 0.01 C Shift Assignments>> CA :: 54.2 CB :: 19.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.34 HA :: 4.11 HB1 :: 1.28 HB2 :: 1.28 HB3 :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.6 Ave N Shift Values>> N :: 123.23(3.7) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.22 G 0.01 K 0.01 HN Overlap>> 1.F81 1.E91 1.F81 1.E91 C Shift Assignments>> CA :: 58.2 CB :: 41.9 CG :: 27.4 CD1 :: 23.8 CD2 :: 25.8 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.73 HA :: 4.00 HB2 :: 1.39 HB3 :: 1.39 HG :: 1.47 HD11 :: 1.13 HD12 :: 1.13 HD13 :: 1.13 HD21 :: 1.02 HD22 :: 1.02 HD23 :: 1.02 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 :: 120.6 Ave N Shift Values>> N :: 121.98(4.07) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q109 1.Q109 C Shift Assignments>> C :: 177.6 CA :: 67.5 CB :: 31.7 CG1 :: 22.5 CG2 :: 23.0 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 :: 8.32 HA :: 3.08 HB :: 1.73 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.59 HG22 :: 0.59 HG23 :: 0.59 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 :: 117.1 Ave N Shift Values>> N :: 121.02(4.96) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.32 I 0.13 D 0.06 L 0.05 E 0.02 N 0.02 K 0.01 C Shift Assignments>> C :: 176.5 CA :: 57.9 CB :: 39.4 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 :: 7.91 HA :: 4.03 HB2 :: 2.49 HB3 :: 2.58 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 120.73(4.2) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 I 0.01 C Shift Assignments>> C :: 180.2 CA :: 54.6 CB :: 18.9 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.75 HA :: 4.06 HB1 :: 1.59 HB2 :: 1.59 HB3 :: 1.59 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 123.23(3.7) 1.L127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.58 R 0.19 G 0.18 A 0.02 C Shift Assignments>> C :: 179.5 CA :: 57.7 CB :: 43.4 CG :: 26.1 CD1 :: 26.5 CD2 :: 21.9 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.70 HA :: 4.05 HB2 :: 0.87 HB3 :: 1.78 HG :: 1.58 HD11 :: 0.29 HD12 :: 0.29 HD13 :: 0.29 HD21 :: -0.35(S) HD22 :: -0.35(S) HD23 :: -0.35(S) 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 :: 116.3 Ave N Shift Values>> N :: 121.98(4.07) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.9 CA :: 64.9 CB :: 31.8 CG1 :: 22.4 CG2 :: 23.4 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 :: 8.70 HA :: 2.97 HB :: 1.53 HG11 :: 0.28 HG12 :: 0.28 HG13 :: 0.28 HG21 :: 0.55 HG22 :: 0.55 HG23 :: 0.55 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 :: 119.7 Ave N Shift Values>> N :: 121.02(4.96) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.23 Y 0.18 F 0.17 L 0.09 I 0.01 E 0.01 K 0.01 HN Overlap>> 1.S48 1.S48 C Shift Assignments>> C :: 176.4 CA :: 55.0 CB :: 39.4 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 :: 8.18 HA :: 4.75 HB2 :: 2.69 HB3 :: 2.79 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 :: 114.3 Ave N Shift Values>> N :: 120.73(4.2) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.1 CA :: 59.1 CB :: 64.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.34 HA :: 4.26 HB2 :: 4.39 HB3 :: 4.58 HG :: 5.64 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 :: 117.1 Ave N Shift Values>> N :: 116.3(3.95) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.72 E 0.27 C Shift Assignments>> C :: 177.3 CA :: 57.9 CB :: 28.2 CG :: 33.4 CD :: 180.6 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.98 HA :: 3.97 HB2 :: 2.01 HB3 :: 2.22 HG2 :: 2.40 HG3 :: 2.47 HE21 :: 8.07 HE22 :: 6.94 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 :: 124.6 NE2 :: 116.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 E 0.23 M 0.07 I 0.06 R 0.03 C Shift Assignments>> C :: 177.4 CA :: 59.7 CB :: 29.6 CG :: 34.1 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.32 HA :: 4.07 HB2 :: 1.79 HB3 :: 2.21 HG2 :: 2.42 HG3 :: 2.49 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 :: 118.5 Ave N Shift Values>> N :: 120.68(3.68) 1.Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.79 F 0.2 HN Overlap>> 1.V56 1.V56 1.K110 1.K110 C Shift Assignments>> C :: 179.0 CA :: 62.2 CB :: 38.9 CD1 :: 133.6 CD2 :: 133.6 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>> H :: 7.95 HA :: 3.63 HB2 :: 2.89 HB3 :: 3.29 HD1 :: 6.84 HD2 :: 6.84 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 :: 120.3 Ave N Shift Values>> N :: 120.79(4.69) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.06 C Shift Assignments>> C :: 179.7 CA :: 55.7 CB :: 17.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.68 HA :: 4.00 HB1 :: 1.60 HB2 :: 1.60 HB3 :: 1.60 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 123.23(3.7) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.16 L 0.15 K 0.12 N 0.04 I 0.04 R 0.01 C Shift Assignments>> C :: 177.8 CA :: 56.7 CB :: 40.5 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.72 HA :: 4.16 HB2 :: 2.18 HB3 :: 2.70 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 120.73(4.2) 1.Y136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.7 CA :: 61.4 CB :: 37.2 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.2 CE2 :: 118.2 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 :: 7.65 HA :: 3.85 HB2 :: 1.38(S) HB3 :: 1.45(S) HD1 :: 7.09 HD2 :: 7.09 HE1 :: 6.74 HE2 :: 6.74 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 120.79(4.69) 1.F137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 176.2 CA :: 55.4 CB :: 39.3 CZ :: 128.7 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.25 HA :: 4.93 HB2 :: 2.14 HB3 :: 3.22 HZ :: 6.77 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 120.69(4.18) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.7 CA :: 46.5 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.11 HA2 :: 4.06 HA3 :: 4.11 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.6 Ave N Shift Values>> N :: 109.91(4.29) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.19 I 0.13 K 0.02 Q 0.01 HN Overlap>> 1.L90 1.L90 C Shift Assignments>> C :: 177.8 CA :: 58.1 CB :: 31.4 CG :: 36.8 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.64 HA :: 4.44 HB2 :: 2.01 HB3 :: 2.34 HG2 :: 2.35 HG3 :: 2.49 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 :: 119.1 Ave N Shift Values>> N :: 120.68(3.68) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 M 0.37 Q 0.04 I 0.04 K 0.01 C Shift Assignments>> C :: 177.3 CA :: 57.5 CB :: 32.3 CG :: 36.1 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.25 HA :: 4.91 HB2 :: 2.14 HB3 :: 2.17 HG2 :: 2.26 HG3 :: 2.39 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 :: 111.2 Ave N Shift Values>> N :: 120.68(3.68) 1.T141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1 CA :: 63.8 CB :: 69.1 CG2 :: 21.4 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 :: 7.66 HA :: 4.63 HB :: 4.79 HG21 :: 1.59 HG22 :: 1.59 HG23 :: 1.59 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 Ave N Shift Values>> N :: 115.7(5.05) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.2 CB :: 32.4 CG1 :: 20.3 CG2 :: 22.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.92 HA :: 3.68 HB :: 2.29 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 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 :: 128.8 Ave N Shift Values>> N :: 121.02(4.96) 1.P143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 172.9 CA :: 63.0 CB :: 31.4 CG :: 29.5 CD :: 50.9 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 :: 1.97(S) HB2 :: 1.17 HB3 :: 1.26 HG2 :: 1.61 HG3 :: 1.61 HD2 :: 3.04 HD3 :: 3.83 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) 1.Y144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.96 G 0.03 C Shift Assignments>> C :: 173.0 CA :: 53.4 CB :: 41.0 CD1 :: 135.3 CD2 :: 135.3 CE1 :: 117.2 CE2 :: 117.2 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 :: 5.70(S) HA :: 4.71 HB2 :: 3.02 HB3 :: 3.02 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 6.87 HE2 :: 6.87 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 :: 114.6 Ave N Shift Values>> N :: 120.79(4.69) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 G 0.01 C Shift Assignments>> C :: 178.2 CA :: 55.6 CB :: 41.8 CG :: 26.8 CD1 :: 24.9 CD2 :: 24.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.18 HA :: 4.40 HB2 :: 1.54 HB3 :: 1.74 HG :: 1.76 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.82 HD22 :: 0.82 HD23 :: 0.82 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) 1.R146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.63 K 0.18 G 0.17 C Shift Assignments>> C :: 176.8 CA :: 56.4 CB :: 31.7 CG :: 26.2 CD :: 43.7 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 :: 8.98 HA :: 4.46 HB2 :: 1.47 HB3 :: 2.01 HG2 :: 1.65 HG3 :: 1.72 HD2 :: 2.57 HD3 :: 2.93 HE :: 6.40 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 :: 126.3 NE :: 82.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 174.0 CA :: 45.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.46 HA2 :: 3.93 HA3 :: 4.07 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) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.11 G 0.02 A 0.02 C Shift Assignments>> C :: 177.5 CA :: 55.3 CB :: 42.2 CG :: 27.0 CD1 :: 25.2 CD2 :: 23.5 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 :: 8.30 HA :: 4.27 HB2 :: 1.50 HB3 :: 1.55 HG :: 1.55 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 121.98(4.07) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.15 K 0.13 Q 0.08 I 0.07 C Shift Assignments>> CA :: 56.6 CB :: 30.2 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 :: 8.55 HA :: 4.17 HB2 :: 1.85 HB3 :: 1.90 HG2 :: 2.12 HG3 :: 2.19 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 120.68(3.68) 1.H150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.19 E 0.17 Q 0.16 M 0.11 K 0.1 I 0.01 V 0.01 HN Overlap>> 1.L120 1.L120 C Shift Assignments>> C :: 174.0 CA :: 56.0 CB :: 30.4 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 :: 8.31 HA :: 4.55 HB2 :: 2.97 HB3 :: 2.97 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 :: 120.1 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 R 0.19 H 0.18 Q 0.16 K 0.11 M 0.08 I 0.03 V 0.01 C Shift Assignments>> CA :: 57.2 CB :: 30.2 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 :: 8.12 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 :: 125.4 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.H152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 144 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 154 #Suspicious: 1 C Shift Results: #Consistent: 650 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1014 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 156 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q79 HB2 = 1.07(S), Expected = 2.05, Std = 0.2800, ChiSquare = 4.6526e-04 1.F80 HB2 = 1.45(S), Expected = 2.99, Std = 0.3700, ChiSquare = 3.1525e-05 1.P83 HB2 = 0.33(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.0325e-05 1.F94 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.R100 HE = 9.56(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.6497e-05 1.P102 HG2 = 0.70(S), Expected = 1.93, Std = 0.3600, ChiSquare = 6.3393e-04 1.L120 HB3 = -0.18(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.1673e-06 1.L127 HD21 = -0.35(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.3616e-05 1.L127 HD22 = -0.35(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.3616e-05 1.L127 HD23 = -0.35(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.3616e-05 1.Y136 HB2 = 1.38(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.5475e-05 1.Y136 HB3 = 1.45(S), Expected = 2.91, Std = 0.3700, ChiSquare = 7.9486e-05 1.P143 HA = 1.97(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.2204e-11 1.Y144 H = 5.70(S), Expected = 8.37, Std = 0.7500, ChiSquare = 3.7085e-04