G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 K 0.26 R 0.18 E 0.11 Q 0.11 V 0.02 C Shift Assignments>> C :: 176.837 CA :: 55.958 CB :: 32.243 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 :: 8.605 HA :: 4.399 HB2 :: 2.101 HG2 :: 2.577 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.986 Ave N Shift Values>> N :: 120.1(3.88) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 173.181 CA :: 45.695 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.168 HA2 :: 3.973 HA3 :: 3.673 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.732 Ave N Shift Values>> N :: 109.91(4.29) D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 R 0.08 N 0.08 F 0.06 Y 0.05 C Shift Assignments>> C :: 176.944 CA :: 53.642 CB :: 41.844 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 :: 7.907 HA :: 4.667 HB2 :: 2.725 HB3 :: 2.586 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.542 Ave N Shift Values>> N :: 120.73(4.2) V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.051 CA :: 63.726 CB :: 32.172 CG1 :: 21.313 CG2 :: 21.313 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 :: 8.418 HA :: 3.788 HB :: 2.069 HG2 :: 0.891 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.019 Ave N Shift Values>> N :: 121.02(4.96) S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.804 CA :: 60.340 CB :: 63.558 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.429 HA :: 4.287 HB2 :: 3.901 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 :: 117.802 Ave N Shift Values>> N :: 116.3(3.95) K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 K 0.1 C Shift Assignments>> C :: 176.906 CA :: 55.863 CB :: 32.384 CG :: 21.311 CD :: 29.763 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 :: 7.782 HA :: 4.326 HB2 :: 1.988 HB3 :: 1.807 HG2 :: 1.371 HD2 :: 1.658 HE2 :: 2.950 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 :: 120.501 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.38 G 0.11 K 0.04 C Shift Assignments>> C :: 177.550 CA :: 54.632 CB :: 43.609 CG :: 26.800 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 :: 7.295 HA :: 4.475 HB2 :: 1.741 HB3 :: 1.377 HG :: 1.786 HD1 :: 0.784 HD2 :: 0.686 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 :: 120.079 Ave N Shift Values>> N :: 121.98(4.07) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.352 CA :: 56.876 CB :: 65.635 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.228 HA :: 4.600 HB2 :: 4.460 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 :: 120.678 Ave N Shift Values>> N :: 116.3(3.95) S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.145 HA :: 4.150 HB2 :: 3.960 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 :: 116.966 Ave N Shift Values>> N :: 116.3(3.95) N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.24 N 0.12 D 0.12 E 0.07 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 177.997 CA :: 56.310 CB :: 38.590 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 :: 7.965 HD22 :: 7.015 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 :: 114.042 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.28 K 0.12 Q 0.05 M 0.03 C Shift Assignments>> C :: 178.228 CA :: 59.490 CB :: 29.441 CG :: 36.097 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 :: 7.990 HA :: 4.155 HB2 :: 2.217 HG2 :: 2.507 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.702 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> F71 I135 C Shift Assignments>> C :: 177.702 CA :: 68.489 CB :: 31.456 CG1 :: 21.848 CG2 :: 24.065 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 :: 8.442 HA :: 3.543 HB :: 2.183 HG1 :: 1.057 HG2 :: 1.032 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 :: 119.358 Ave N Shift Values>> N :: 121.02(4.96) K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> C :: 179.566 CA :: 59.369 CB :: 31.664 CG :: 24.612 CD :: 28.987 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 :: 7.781 HA :: 4.242 HB2 :: 1.986 HG2 :: 1.509 HD2 :: 1.728 HE2 :: 3.014 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 :: 119.372 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.21 R 0.15 Y 0.15 L 0.13 I 0.05 D 0.03 HN Overlap>> D130 C Shift Assignments>> C :: 176.700 CA :: 58.665 CB :: 41.947 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 :: 7.992 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.469 Ave N Shift Values>> N :: 121.98(4.07) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 R 0.31 I 0.16 L 0.08 HN Overlap>> D72 C Shift Assignments>> C :: 178.728 CA :: 58.625 CB :: 41.849 CD1 :: 27.894 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 :: 8.182 HA :: 4.270 HB2 :: 2.368 HB3 :: 1.599 HG :: 2.069 HD1 :: 0.756 HD2 :: 0.730 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.910 Ave N Shift Values>> N :: 121.98(4.07) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.4 K 0.05 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.710 CA :: 60.144 CB :: 30.055 CG :: 36.644 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 :: 9.091 HA :: 3.743 HB2 :: 2.047 HG2 :: 2.345 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 :: 119.928 Ave N Shift Values>> N :: 120.68(3.68) T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.047 CA :: 66.726 CB :: 69.377 CG2 :: 21.581 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.380 HA :: 4.333 HB :: 3.844 HG2 :: 1.317 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 :: 115.092 Ave N Shift Values>> N :: 115.7(5.05) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.03 V 0.01 C Shift Assignments>> C :: 178.478 CA :: 55.074 CB :: 18.580 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.737 HA :: 4.392 HB :: 1.598 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.215 Ave N Shift Values>> N :: 123.23(3.7) F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 177.533 CA :: 62.305 CB :: 40.432 CD1 :: 132.075 CE1 :: 131.292 CZ :: 129.727 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 :: 8.413 HA :: 3.547 HB2 :: 3.035 HD1 :: 6.488 HE1 :: 6.886 HZ :: 7.276 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.831 Ave N Shift Values>> N :: 120.69(4.18) R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.15 K 0.1 L 0.02 C Shift Assignments>> C :: 178.835 CA :: 58.871 CB :: 29.560 CG :: 27.838 CD :: 43.453 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 :: 8.206 HA :: 4.072 HB2 :: 2.000 HG2 :: 1.755 HD2 :: 3.212 HE :: 7.300 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.475 NE :: 125.022 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.18 Y 0.18 L 0.17 K 0.14 N 0.04 I 0.03 R 0.02 HN Overlap>> Q56 C Shift Assignments>> C :: 177.128 CA :: 56.400 CB :: 40.644 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 :: 7.594 HA :: 4.423 HB2 :: 2.854 HB3 :: 2.323 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 :: 117.879 Ave N Shift Values>> N :: 120.73(4.2) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.48 C Shift Assignments>> C :: 175.050 CA :: 58.326 CB :: 40.856 CD1 :: 132.597 CE1 :: 131.292 CZ :: 129.466 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 :: 7.539 HA :: 4.383 HB2 :: 3.083 HB3 :: 2.407 HD1 :: 7.503 HE1 :: 7.316 HZ :: 7.170 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.541 Ave N Shift Values>> N :: 120.69(4.18) E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.15 I 0.11 K 0.08 Q 0.03 C Shift Assignments>> C :: 176.281 CA :: 57.474 CB :: 30.549 CG :: 36.542 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 :: 7.286 HA :: 4.014 HB2 :: 1.914 HB3 :: 2.011 HG2 :: 2.279 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.335 Ave N Shift Values>> N :: 120.68(3.68) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> M134 C Shift Assignments>> CA :: 58.802 CB :: 72.412 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.267 HA :: 4.526 HB :: 4.029 HG2 :: 1.195 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.703 Ave N Shift Values>> N :: 115.7(5.05) P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.59 P 0.17 I 0.17 Y 0.01 E 0.01 C Shift Assignments>> C :: 176.570 CA :: 63.695 CB :: 34.791 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 :: 4.914 HB2 :: 2.525 HB3 :: 2.118 HG2 :: 1.977 HG3 :: 1.811 HD2 :: 3.507 HD3 :: 3.573 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) E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.28 K 0.1 M 0.03 Q 0.03 C Shift Assignments>> C :: 177.889 CA :: 58.905 CB :: 29.491 CG :: 36.542 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 :: 8.913 HA :: 3.978 HB2 :: 2.115 HB3 :: 2.297 HG2 :: 2.413 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 :: 122.249 Ave N Shift Values>> N :: 120.68(3.68) G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 175.375 CA :: 45.916 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.606 HA2 :: 4.170 HA3 :: 3.877 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.826 Ave N Shift Values>> N :: 109.91(4.29) S30 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 :: 176.480 CA :: 59.903 CB :: 65.141 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.945 HA :: 4.152 HB2 :: 3.974 HB3 :: 3.797 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 :: 114.920 Ave N Shift Values>> N :: 116.3(3.95) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 173.912 CA :: 46.314 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.636 HA2 :: 4.270 HA3 :: 3.933 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.212 Ave N Shift Values>> N :: 109.91(4.29) R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 R 0.43 G 0.09 C Shift Assignments>> C :: 174.108 CA :: 54.296 CB :: 33.796 CG :: 27.002 CD :: 42.796 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 :: 8.104 HA :: 5.446 HB2 :: 1.652 HB3 :: 1.785 HG2 :: 1.637 HG3 :: 1.476 HD2 :: 3.130 HD3 :: 3.167 HE :: 7.384 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.539 NE :: 125.218 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.01 C Shift Assignments>> C :: 174.893 CA :: 59.284 CB :: 35.138 CG1 :: 20.512 CG2 :: 20.227 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 :: 8.306 HA :: 4.343 HB :: 1.508 HG1 :: 0.123 HG2 :: 0.115 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 :: 114.759 Ave N Shift Values>> N :: 121.02(4.96) S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.978 CA :: 57.736 CB :: 64.576 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.810 HA :: 4.888 HB2 :: 4.076 HB3 :: 3.881 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 :: 118.115 Ave N Shift Values>> N :: 116.3(3.95) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.782 CA :: 65.455 CB :: 67.459 CG2 :: 24.065 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.555 HA :: 3.803 HB :: 4.330 HG2 :: 1.224 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 :: 117.953 Ave N Shift Values>> N :: 115.7(5.05) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.2 Y 0.19 L 0.15 N 0.09 K 0.07 I 0.02 C Shift Assignments>> C :: 177.301 CA :: 55.893 CB :: 40.220 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 :: 8.185 HA :: 4.490 HB2 :: 2.749 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.400 Ave N Shift Values>> N :: 120.73(4.2) Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 E 0.21 M 0.14 R 0.02 C Shift Assignments>> C :: 176.258 CA :: 55.232 CB :: 29.702 CG :: 34.404 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 :: 7.742 HA :: 4.551 HB2 :: 1.928 HG2 :: 2.308 HG3 :: 2.452 HE21 :: 7.340 HE22 :: 6.775 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.611 NE2 :: 111.499 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.463 CA :: 65.526 CB :: 37.820 CG1 :: 28.987 CG2 :: 17.503 CD1 :: 13.128 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 :: 7.212 HA :: 3.470 HB :: 1.825 HG2 :: 0.889 HG12 :: 1.719 HG13 :: 1.089 HD1 :: 0.873 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 :: 118.834 Ave N Shift Values>> N :: 121.6(4.72) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 P 0.02 A 0.02 N 0.01 C Shift Assignments>> C :: 176.229 CA :: 47.369 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.738 HA2 :: 3.870 HA3 :: 3.690 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.570 Ave N Shift Values>> N :: 109.91(4.29) I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.711 CA :: 63.568 CB :: 37.820 CG1 :: 28.987 CG2 :: 18.050 CD1 :: 13.128 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 :: 7.293 HA :: 3.878 HB :: 1.822 HG2 :: 0.937 HG12 :: 1.258 HG13 :: 1.574 HD1 :: 0.945 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 :: 122.100 Ave N Shift Values>> N :: 121.6(4.72) I41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.978 CA :: 65.558 CB :: 37.538 CG1 :: 27.347 CG2 :: 18.596 CD1 :: 14.768 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 :: 7.706 HA :: 3.163 HB :: 1.397 HG2 :: 0.688 HG12 :: -0.401(S) HG13 :: 1.028 HD1 :: 0.180 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.109 Ave N Shift Values>> N :: 121.6(4.72) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 I 0.19 A 0.06 C Shift Assignments>> C :: 178.977 CA :: 58.355 CB :: 39.514 CD1 :: 21.848 CD2 :: 25.321 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 :: 7.956 HA :: 3.880 HB2 :: 1.795 HB3 :: 1.457 HG :: 1.975 HD1 :: 0.659 HD2 :: 0.552 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 :: 117.028 Ave N Shift Values>> N :: 121.98(4.07) E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 E 0.16 K 0.13 R 0.11 Q 0.11 V 0.06 P 0.02 M 0.02 HN Overlap>> D68 C Shift Assignments>> C :: 181.171 CA :: 60.340 CB :: 29.066 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 :: 7.667 HA :: 3.927 HB2 :: 2.213 HG2 :: 2.429 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 :: 118.807 Ave N Shift Values>> N :: 120.68(3.68) V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.498 CA :: 66.569 CB :: 31.114 CG1 :: 21.046 CG2 :: 23.183 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 :: 8.394 HA :: 3.845 HB :: 2.506 HG1 :: 1.137 HG2 :: 1.285 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.357 Ave N Shift Values>> N :: 121.02(4.96) L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.3 G 0.12 D 0.08 K 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.391 CA :: 55.200 CB :: 43.754 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 :: 7.599 HA :: 4.295 HB2 :: 1.972 HB3 :: 1.638 HD1 :: 0.952 HD2 :: 0.878 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.643 Ave N Shift Values>> N :: 121.98(4.07) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.872 CA :: 45.901 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.954 HA2 :: 4.200 HA3 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.593 Ave N Shift Values>> N :: 109.91(4.29) I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 174.251 CA :: 59.146 CB :: 37.679 CG1 :: 26.253 CG2 :: 18.596 CD1 :: 14.221 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 :: 8.074 HA :: 4.486 HB :: 1.814 HG2 :: 0.755 HG12 :: 1.558 HG13 :: 0.881 HD1 :: 0.803 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 :: 117.183 Ave N Shift Values>> N :: 121.6(4.72) Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 K 0.24 E 0.18 R 0.15 M 0.05 L 0.05 I 0.03 C Shift Assignments>> C :: 175.241 CA :: 56.256 CB :: 28.996 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 :: 8.031 HA :: 3.984 HB2 :: 1.889 HB3 :: 2.230 HE21 :: 6.351 HE22 :: 6.565 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.339 NE2 :: 116.064 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 M 0.3 K 0.13 R 0.13 Q 0.05 E 0.04 HN Overlap>> D159 C Shift Assignments>> C :: 175.214 CA :: 52.074 CB :: 32.031 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 :: 8.329 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.862 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.339 CA :: 60.979 CB :: 71.353 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.654 HA :: 4.288 HB :: 4.732 HG2 :: 1.304 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 :: 110.778 Ave N Shift Values>> N :: 115.7(5.05) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 R 0.14 K 0.14 E 0.12 M 0.11 I 0.06 P 0.06 Q 0.04 C Shift Assignments>> C :: 179.614 CA :: 60.041 CB :: 31.961 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 :: 8.794 HA :: 3.946 HB2 :: 1.897 HG2 :: 1.500 HD2 :: 1.637 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 :: 120.163 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.854 CA :: 61.254 CB :: 62.444 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.335 HA :: 4.218 HB2 :: 3.871 HB3 :: 3.926 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 :: 113.762 Ave N Shift Values>> N :: 116.3(3.95) T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.302 CA :: 66.474 CB :: 68.459 CG2 :: 21.313 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 :: 7.740 HA :: 4.021 HB :: 4.340 HG2 :: 1.245 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 :: 122.427 Ave N Shift Values>> N :: 115.7(5.05) I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> L95 C Shift Assignments>> C :: 177.265 CA :: 65.141 CB :: 36.549 CG1 :: 28.987 CG2 :: 17.870 CD1 :: 12.581 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 :: 8.259 HA :: 3.529 HB :: 1.977 HG2 :: 0.921 HG12 :: 1.474 HG13 :: 1.068 HD1 :: 0.706 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.558 Ave N Shift Values>> N :: 121.6(4.72) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.14 K 0.09 L 0.02 C Shift Assignments>> C :: 178.531 CA :: 59.450 CB :: 29.649 CG :: 27.510 CD :: 43.363 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 :: 8.066 HE :: 7.383 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.881 NE :: 124.193 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.29 E 0.21 I 0.09 R 0.06 M 0.01 HN Overlap>> D23 C Shift Assignments>> C :: 179.456 CA :: 59.179 CB :: 28.260 CG :: 34.404 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 :: 7.614 HA :: 4.174 HB2 :: 2.166 HB3 :: 2.317 HG2 :: 2.461 HG3 :: 2.609 HE21 :: 6.965 HE22 :: 7.568 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 :: 117.794 NE2 :: 112.492 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.2 G 0.07 R 0.01 HN Overlap>> L131 C Shift Assignments>> C :: 179.161 CA :: 58.276 CB :: 42.781 CG :: 26.250 CD1 :: 23.518 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 :: 8.319 HA :: 4.407 HB2 :: 2.405 HB3 :: 1.443 HG :: 2.250 HD1 :: 1.116 HD2 :: 0.905 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 :: 121.028 Ave N Shift Values>> N :: 121.98(4.07) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.426 CA :: 66.695 CB :: 37.608 CG2 :: 18.050 CD1 :: 14.221 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 :: 8.406 HA :: 3.468 HB :: 1.974 HG2 :: 1.047 HD1 :: 0.878 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.229 Ave N Shift Values>> N :: 121.6(4.72) D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.12 L 0.12 K 0.09 I 0.06 N 0.02 R 0.01 C Shift Assignments>> C :: 177.479 CA :: 57.289 CB :: 40.291 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 :: 7.866 HA :: 4.216 HB2 :: 2.712 HB3 :: 2.619 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.524 Ave N Shift Values>> N :: 120.73(4.2) E60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.29 Q 0.28 K 0.23 M 0.1 I 0.04 R 0.02 C Shift Assignments>> C :: 178.157 CA :: 58.630 CB :: 29.843 CG :: 34.456 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 :: 7.751 HA :: 3.799 HB2 :: 1.877 HG2 :: 0.700(M) HG3 :: 1.808 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 :: 118.291 Ave N Shift Values>> N :: 120.68(3.68) F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.41 C Shift Assignments>> C :: 175.214 CA :: 60.284 CB :: 39.726 CE1 :: 129.727 CZ :: 131.292 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 :: 8.408 HA :: 4.549 HB2 :: 3.300 HB3 :: 2.741 HD1 :: 7.217 HE1 :: 7.051 HZ :: 7.586 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 :: 113.504 Ave N Shift Values>> N :: 120.69(4.18) D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.21 L 0.18 K 0.07 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> CA :: 52.642 CB :: 41.068 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 :: 8.743 HA :: 5.417 HB2 :: 3.042 HB3 :: 2.321 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.630 Ave N Shift Values>> N :: 120.73(4.2) P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.46 P 0.43 I 0.09 C Shift Assignments>> C :: 178.371 CA :: 65.085 CB :: 31.456 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 :: 4.333 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) F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.41 C Shift Assignments>> C :: 175.161 CA :: 56.876 CB :: 37.891 CD1 :: 131.814 CE1 :: 131.814 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 :: 8.815 HA :: 4.667 HB2 :: 3.449 HB3 :: 3.015 HD1 :: 7.325 HE1 :: 7.406 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.373 Ave N Shift Values>> N :: 120.69(4.18) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 P 0.14 A 0.07 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 176.463 CA :: 47.801 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.858 HA2 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.190 Ave N Shift Values>> N :: 109.91(4.29) N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 D 0.22 F 0.2 N 0.17 L 0.09 I 0.03 E 0.02 K 0.01 C Shift Assignments>> C :: 178.014 CA :: 55.603 CB :: 39.373 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 :: 10.371 HA :: 4.582 HB2 :: 3.009 HD21 :: 7.004 HD22 :: 7.934 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 :: 122.324 ND2 :: 114.243 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.077 CA :: 45.351 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.897(S) HA2 :: 4.340 HA3 :: 3.760 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.545 Ave N Shift Values>> N :: 109.91(4.29) D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.18 R 0.07 D 0.03 HN Overlap>> E43 C Shift Assignments>> C :: 173.894 CA :: 52.737 CB :: 44.739 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 :: 7.593 HA :: 5.407 HB2 :: 2.590 HB3 :: 2.754 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.759 Ave N Shift Values>> N :: 120.73(4.2) I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 G 0.12 C Shift Assignments>> C :: 174.144 CA :: 59.842 CB :: 42.691 CG1 :: 26.253 CG2 :: 17.503 CD1 :: 14.220 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 :: 8.752 HA :: 4.903 HB :: 1.996 HG2 :: 0.991 HG12 :: 1.075 HG13 :: 1.654 HD1 :: 0.782 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 :: 111.640 Ave N Shift Values>> N :: 121.6(4.72) D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.28 R 0.13 G 0.07 K 0.07 N 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.452 CA :: 51.956 CB :: 42.691 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 :: 8.256 HA :: 5.598 HB2 :: 3.427 HB3 :: 2.813 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.415 Ave N Shift Values>> N :: 120.73(4.2) F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 HN Overlap>> V14 I135 C Shift Assignments>> C :: 176.464 CA :: 60.537 CB :: 38.456 CD1 :: 132.075 CE1 :: 130.770 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 :: 8.499 HA :: 3.565 HB2 :: 2.672 HB3 :: 2.380 HD1 :: 6.526 HE1 :: 7.105 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 :: 119.398 Ave N Shift Values>> N :: 120.69(4.18) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.29 I 0.12 L 0.08 K 0.07 D 0.06 HN Overlap>> L17 C Shift Assignments>> C :: 179.637 CA :: 58.345 CB :: 40.210 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 :: 8.136 HA :: 4.044 HB2 :: 2.616 HB3 :: 2.727 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.984 Ave N Shift Values>> N :: 120.73(4.2) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.26 V 0.25 I 0.22 P 0.14 F 0.03 Y 0.02 S 0.02 C Shift Assignments>> C :: 174.768 CA :: 62.243 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.188 HA :: 4.083 HB2 :: 3.520 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 :: 116.112 Ave N Shift Values>> N :: 116.3(3.95) F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 F 0.34 C Shift Assignments>> C :: 176.288 CA :: 61.623 CB :: 39.797 CE1 :: 128.422 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 :: 8.144 HA :: 3.780 HB2 :: 2.899 HB3 :: 3.072 HD1 :: 6.526 HE1 :: 7.111 HZ :: 7.222 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 :: 122.519 Ave N Shift Values>> N :: 120.69(4.18) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 R 0.12 K 0.11 E 0.1 P 0.09 M 0.08 I 0.07 Q 0.03 C Shift Assignments>> C :: 177.691 CA :: 60.419 CB :: 31.961 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 :: 8.262 HA :: 3.364 HB2 :: 1.469 HB3 :: 1.347 HG2 :: 0.826 HG3 :: 0.773 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 :: 117.726 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.189 CA :: 65.463 CB :: 37.326 CG2 :: 18.296 CD1 :: 13.674 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.856 HA :: 3.331 HB :: 1.941 HG2 :: 0.974 HD1 :: 0.979 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 :: 119.088 Ave N Shift Values>> N :: 121.6(4.72) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.657 CA :: 66.316 CB :: 37.538 CG1 :: 28.987 CG2 :: 17.503 CD1 :: 13.128 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 :: 7.196 HA :: 3.011 HB :: 1.554 HG2 :: 0.725 HG12 :: 0.455 HG13 :: 1.005 HD1 :: 0.411 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 :: 119.656 Ave N Shift Values>> N :: 121.6(4.72) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.661 CA :: 47.274 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.479 HA2 :: 3.310 HA3 :: 3.240 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.881 Ave N Shift Values>> N :: 109.91(4.29) A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.47 I 0.02 C Shift Assignments>> C :: 178.852 CA :: 54.571 CB :: 18.116 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.250 HA :: 3.907 HB :: 1.256 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.701 Ave N Shift Values>> N :: 123.23(3.7) R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.23 K 0.1 L 0.04 C Shift Assignments>> C :: 177.555 CA :: 58.970 CB :: 29.702 CG :: 26.441 CD :: 43.847 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 :: 7.558 HA :: 3.744 HB2 :: 1.081 HB3 :: 1.460 HG2 :: 0.980 HG3 :: 1.541 HD2 :: 2.513 HD3 :: 2.988 HE :: 6.863 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 :: 116.825 NE :: 122.968 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.39 G 0.03 C Shift Assignments>> C :: 176.480 CA :: 58.434 CB :: 42.480 CD1 :: 132.075 CE1 :: 130.509 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 :: 7.003 HA :: 4.874 HB2 :: 3.338 HB3 :: 2.533 HD1 :: 7.227 HE1 :: 7.156 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 :: 113.314 Ave N Shift Values>> N :: 120.69(4.18) L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.32 R 0.23 G 0.02 I 0.01 C Shift Assignments>> C :: 177.640 CA :: 56.211 CB :: 42.691 CD1 :: 25.159 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 :: 8.396 HA :: 4.299 HB2 :: 1.638 HG :: 1.496 HD1 :: 0.764 HD2 :: 0.941 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 :: 120.572 Ave N Shift Values>> N :: 121.98(4.07) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.576 CA :: 44.904 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.193 HA2 :: 4.050 HA3 :: 3.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.039 Ave N Shift Values>> N :: 109.91(4.29) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.2 K 0.09 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.744 CA :: 56.153 CB :: 30.549 CG :: 36.375 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 :: 8.193 HA :: 4.381 HB2 :: 1.971 HG2 :: 2.311 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 :: 120.240 Ave N Shift Values>> N :: 120.68(3.68) E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.18 K 0.08 I 0.07 Q 0.04 C Shift Assignments>> C :: 176.195 CA :: 56.369 CB :: 30.549 CG :: 36.591 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 :: 8.750 HA :: 4.374 HB2 :: 1.981 HG2 :: 2.300 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.103 Ave N Shift Values>> N :: 120.68(3.68) V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.464 CA :: 62.116 CB :: 32.949 CG1 :: 21.046 CG2 :: 20.779 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 :: 8.311 HA :: 4.128 HB :: 2.049 HG1 :: 0.943 HG2 :: 0.915 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.885 Ave N Shift Values>> N :: 121.02(4.96) N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.19 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> CA :: 51.190 CB :: 38.809 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 :: 8.693 HA :: 5.052 HB2 :: 2.967 HB3 :: 2.873 HD21 :: 7.738 HD22 :: 7.085 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 :: 124.719 ND2 :: 113.240 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.5 P 0.43 I 0.06 C Shift Assignments>> C :: 178.139 CA :: 65.015 CB :: 32.012 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 :: 4.390 HB2 :: 2.401 HB3 :: 2.034 HD2 :: 3.891 HD3 :: 3.939 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) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.31 K 0.1 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.264 CA :: 58.831 CB :: 29.281 CG :: 36.644 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 :: 8.347 HA :: 4.193 HB2 :: 2.085 HG2 :: 2.332 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 :: 118.863 Ave N Shift Values>> N :: 120.68(3.68) Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 Q 0.19 E 0.18 R 0.17 I 0.14 L 0.04 M 0.02 V 0.01 C Shift Assignments>> C :: 176.450 CA :: 58.484 CB :: 28.538 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 :: 7.991 HE21 :: 6.850 HE22 :: 7.705 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.861 NE2 :: 112.415 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.2 R 0.16 E 0.13 V 0.11 Q 0.1 I 0.01 C Shift Assignments>> C :: 178.032 CA :: 58.280 CB :: 32.359 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 :: 8.526 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.697 Ave N Shift Values>> N :: 120.1(3.88) Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.29 E 0.22 I 0.09 R 0.06 M 0.01 C Shift Assignments>> C :: 177.747 CA :: 59.043 CB :: 28.260 CG :: 34.456 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 :: 8.218 HA :: 4.127 HB2 :: 2.251 HG2 :: 2.615 HG3 :: 2.476 HE21 :: 6.853 HE22 :: 7.289 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.309 NE2 :: 111.790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 R 0.19 K 0.15 Q 0.13 E 0.12 L 0.04 P 0.02 V 0.01 M 0.01 C Shift Assignments>> C :: 176.534 CA :: 59.613 CB :: 28.051 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 :: 8.067 HA :: 4.044 HB2 :: 2.246 HG2 :: 2.479 HE21 :: 6.815 HE22 :: 7.657 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 :: 119.541 NE2 :: 112.070 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 E 0.21 K 0.17 Q 0.15 R 0.15 V 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 179.367 CA :: 59.463 CB :: 29.232 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 :: 8.432 HA :: 4.105 HB2 :: 2.184 HG2 :: 2.477 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 :: 120.074 Ave N Shift Values>> N :: 120.68(3.68) L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 K 0.39 R 0.01 G 0.01 HN Overlap>> I54 C Shift Assignments>> C :: 179.209 CA :: 58.345 CB :: 41.878 CG :: 26.940 CD1 :: 23.518 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 :: 8.317 HA :: 4.483 HB2 :: 1.750 HB3 :: 2.210 HG :: 1.991 HD1 :: 0.932 HD2 :: 0.883 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 :: 121.492 Ave N Shift Values>> N :: 121.98(4.07) R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.13 K 0.11 L 0.01 C Shift Assignments>> C :: 179.191 CA :: 59.842 CB :: 29.442 CG :: 27.894 CD :: 43.207 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 :: 8.476 HA :: 4.026 HB2 :: 1.912 HG2 :: 1.341 HG3 :: 1.550 HD2 :: 2.854 HD3 :: 2.927 HE :: 7.040 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.837 NE :: 124.236 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.28 K 0.14 Q 0.06 M 0.02 C Shift Assignments>> C :: 178.750 CA :: 59.146 CB :: 28.941 CG :: 36.097 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 :: 8.004 HA :: 4.115 HB2 :: 2.138 HG2 :: 2.345 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 :: 119.205 Ave N Shift Values>> N :: 120.68(3.68) A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 C Shift Assignments>> C :: 175.464 CA :: 54.984 CB :: 17.919 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.995 HA :: 4.127 HB :: 1.782 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.304 Ave N Shift Values>> N :: 123.23(3.7) F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 HN Overlap>> F148 C Shift Assignments>> C :: 177.015 CA :: 61.959 CB :: 39.915 CD1 :: 131.814 CE1 :: 130.770 CZ :: 128.944 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 :: 8.466 HA :: 3.661 HB2 :: 3.004 HB3 :: 3.117 HD1 :: 6.347 HE1 :: 6.959 HZ :: 7.211 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 :: 117.693 Ave N Shift Values>> N :: 120.69(4.18) R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.14 K 0.13 L 0.01 C Shift Assignments>> C :: 177.996 CA :: 58.548 CB :: 29.984 CG :: 27.838 CD :: 43.453 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 :: 7.831 HA :: 3.881 HB2 :: 1.905 HG2 :: 1.745 HD2 :: 2.996 HE :: 7.280 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 :: 116.151 NE :: 124.805 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 K 0.04 HN Overlap>> E117 D136 C Shift Assignments>> C :: 178.940 CA :: 57.000 CB :: 41.138 CD1 :: 24.786 CD2 :: 23.451 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 :: 7.378 HA :: 3.901 HB2 :: 1.272 HB3 :: 1.551 HG :: 1.537 HD1 :: 0.805 HD2 :: 0.710 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.193 Ave N Shift Values>> N :: 121.98(4.07) Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.748 CA :: 59.242 CB :: 39.020 CD1 :: 133.380 CE1 :: 118.247 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 :: 7.313 HA :: 4.417 HB2 :: 2.470 HB3 :: 2.965 HD1 :: 7.037 HE1 :: 6.809 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 :: 116.256 Ave N Shift Values>> N :: 120.79(4.69) D103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.63 D 0.21 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 176.623 CA :: 51.922 CB :: 38.809 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 :: 7.866 HA :: 4.703 HB2 :: 1.614(S) HB3 :: 2.381 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 :: 121.620 Ave N Shift Values>> N :: 120.73(4.2) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 M 0.05 C Shift Assignments>> C :: 178.806 CA :: 59.069 CB :: 32.567 CG :: 25.159 CD :: 29.534 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 :: 7.615 HA :: 3.987 HB2 :: 1.821 HG2 :: 1.467 HD2 :: 1.733 HE2 :: 3.048 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 :: 122.680 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.19 K 0.09 M 0.05 Q 0.01 C Shift Assignments>> C :: 176.980 CA :: 56.811 CB :: 29.419 CG :: 37.191 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 :: 8.635 HA :: 4.185 HB2 :: 1.899 HB3 :: 2.061 HG2 :: 2.319 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.981 Ave N Shift Values>> N :: 120.68(3.68) G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 HN Overlap>> T156 C Shift Assignments>> C :: 176.159 CA :: 47.022 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.658 HA2 :: 3.830 HA3 :: 3.630 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.560 Ave N Shift Values>> N :: 109.91(4.29) N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.23 Y 0.17 F 0.14 L 0.06 E 0.02 I 0.01 C Shift Assignments>> C :: 176.641 CA :: 54.571 CB :: 38.950 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.831 HA :: 4.487 HB2 :: 2.071 HB3 :: 2.171 HD21 :: 7.607 HD22 :: 6.998 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 :: 120.859 ND2 :: 114.486 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.12 R 0.06 F 0.01 C Shift Assignments>> C :: 173.281 CA :: 45.110 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.862(S) HA2 :: 4.320 HA3 :: 3.630 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.402 Ave N Shift Values>> N :: 109.91(4.29) Y109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.949 CA :: 55.990 CB :: 39.938 CD1 :: 133.640 CE1 :: 118.247 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 :: 7.089 HA :: 5.414 HB2 :: 2.712 HB3 :: 3.089 HD1 :: 6.676 HE1 :: 6.781 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 :: 114.231 Ave N Shift Values>> N :: 120.79(4.69) I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.02 G 0.01 C Shift Assignments>> C :: 175.731 CA :: 59.043 CB :: 41.703 CG1 :: 25.706 CG2 :: 17.503 CD1 :: 13.674 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 :: 8.990 HA :: 4.802 HB :: 1.828 HG2 :: 0.472 HG12 :: 1.103 HG13 :: 1.404 HD1 :: 0.646 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 :: 112.723 Ave N Shift Values>> N :: 121.6(4.72) S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.017 CA :: 57.942 CB :: 64.294 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.012 HA :: 4.713 HB2 :: 4.167 HB3 :: 4.574 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 :: 119.736 Ave N Shift Values>> N :: 116.3(3.95) T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.051 CA :: 65.621 CB :: 67.471 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.345 HA :: 4.331 HB :: 3.818 HG2 :: 1.033 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.996 Ave N Shift Values>> N :: 115.7(5.05) D113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 L 0.1 D 0.09 I 0.08 K 0.08 N 0.01 C Shift Assignments>> C :: 178.778 CA :: 57.736 CB :: 40.220 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 :: 8.131 HA :: 4.391 HB2 :: 2.637 HB3 :: 2.747 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.961 Ave N Shift Values>> N :: 120.73(4.2) V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.085 CA :: 66.302 CB :: 31.325 CG1 :: 23.451 CG2 :: 21.848 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 :: 7.607 HA :: 3.785 HB :: 2.125 HG1 :: 1.110 HG2 :: 0.889 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.384 Ave N Shift Values>> N :: 121.02(4.96) M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 Q 0.24 E 0.16 K 0.04 C Shift Assignments>> C :: 177.408 CA :: 56.905 CB :: 33.796 CG :: 32.269 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.793 HA :: 4.353 HB2 :: 1.738 HB3 :: 2.378 HG2 :: 2.780 HG3 :: 2.333 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.216 Ave N Shift Values>> N :: 120.1(3.88) R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 G 0.25 K 0.18 C Shift Assignments>> C :: 177.496 CA :: 60.626 CB :: 30.690 CG :: 29.510 CD :: 43.407 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 :: 8.366 HA :: 3.754 HB2 :: 1.995 HG2 :: 1.743 HG3 :: 1.546 HD2 :: 3.243 HE :: 7.441 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.397 NE :: 124.202 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 I 0.19 K 0.18 Q 0.16 R 0.15 V 0.03 M 0.03 L 0.01 HN Overlap>> L101 C Shift Assignments>> C :: 179.441 CA :: 59.274 CB :: 29.207 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 :: 7.305 HB2 :: 2.249 HG2 :: 2.529 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 :: 118.156 Ave N Shift Values>> N :: 120.68(3.68) I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.959 CA :: 65.706 CB :: 38.597 CG1 :: 28.987 CG2 :: 16.409 CD1 :: 14.221 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 :: 7.944 HA :: 3.627 HB :: 1.969 HG2 :: 0.779 HG12 :: 0.613 HG13 :: 1.578 HD1 :: 0.245 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 :: 120.983 Ave N Shift Values>> N :: 121.6(4.72) L119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.17 F 0.17 R 0.16 Y 0.12 D 0.06 I 0.02 C Shift Assignments>> C :: 178.656 CA :: 57.770 CB :: 41.985 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 :: 8.057 HA :: 3.892 HB2 :: 1.898 HB3 :: 1.233 HD1 :: 0.837 HD2 :: 0.769 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.377 Ave N Shift Values>> N :: 121.98(4.07) A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.39 I 0.01 C Shift Assignments>> C :: 179.387 CA :: 54.020 CB :: 18.605 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.067 HA :: 4.139 HB :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.969 Ave N Shift Values>> N :: 123.23(3.7) E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 Q 0.2 K 0.2 R 0.18 I 0.08 M 0.05 V 0.02 L 0.01 C Shift Assignments>> C :: 178.763 CA :: 57.979 CB :: 29.419 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 :: 7.543 HA :: 4.083 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 :: 116.044 Ave N Shift Values>> N :: 120.68(3.68) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 K 0.13 G 0.05 C Shift Assignments>> C :: 177.999 CA :: 56.779 CB :: 42.621 CG :: 25.681 CD1 :: 23.518 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 :: 7.612 HA :: 4.166 HB2 :: 1.868 HG :: 1.505 HD1 :: 0.874 HD2 :: 0.828 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 :: 119.492 Ave N Shift Values>> N :: 121.98(4.07) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.21 L 0.16 F 0.08 Y 0.07 K 0.07 R 0.01 C Shift Assignments>> C :: 175.286 CA :: 53.527 CB :: 40.644 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 :: 7.718 HA :: 4.688 HB2 :: 2.897 HB3 :: 2.406 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 :: 117.379 Ave N Shift Values>> N :: 120.73(4.2) E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 K 0.18 I 0.14 Q 0.09 M 0.04 C Shift Assignments>> C :: 177.023 CA :: 57.700 CB :: 29.207 CG :: 36.097 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 :: 8.903 HA :: 4.490 HB2 :: 2.156 HG2 :: 2.428 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.374 Ave N Shift Values>> N :: 120.68(3.68) T125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.610 CA :: 62.526 CB :: 69.588 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.588 HA :: 4.418 HB :: 4.333 HG2 :: 1.249 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 :: 110.980 Ave N Shift Values>> N :: 115.7(5.05) L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.26 A 0.04 G 0.03 R 0.01 C Shift Assignments>> C :: 177.390 CA :: 55.106 CB :: 42.550 CG :: 27.347 CD1 :: 22.972 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.961 HA :: 4.457 HB2 :: 1.312 HB3 :: 1.843 HG :: 1.659 HD1 :: 0.807 HD2 :: 0.939 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.376 Ave N Shift Values>> N :: 121.98(4.07) S127 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 :: 174.840 CA :: 56.704 CB :: 66.059 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.483 HA :: 4.600 HB2 :: 4.410 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 :: 121.620 Ave N Shift Values>> N :: 116.3(3.95) S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.477 CA :: 62.242 CB :: 61.329 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.959 HA :: 4.071 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.826 Ave N Shift Values>> N :: 116.3(3.95) E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 E 0.32 K 0.02 C Shift Assignments>> C :: 179.721 CA :: 59.748 CB :: 28.954 CG :: 37.738 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 :: 8.413 HA :: 4.127 HB2 :: 1.992 HG2 :: 2.386 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 :: 119.675 Ave N Shift Values>> N :: 120.68(3.68) D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.2 L 0.17 Y 0.17 D 0.11 R 0.05 I 0.03 N 0.01 HN Overlap>> L16 C Shift Assignments>> C :: 180.252 CA :: 57.185 CB :: 41.183 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 :: 7.950 HA :: 4.397 HB2 :: 3.019 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.469 Ave N Shift Values>> N :: 120.73(4.2) L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 L 0.26 R 0.23 I 0.09 HN Overlap>> L57 C Shift Assignments>> C :: 178.496 CA :: 58.206 CB :: 41.873 CG :: 25.803 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 :: 8.372 HA :: 3.959 HB2 :: 1.234 HB3 :: 2.104 HG :: 1.672 HD1 :: 0.903 HD2 :: 0.855 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 :: 121.055 Ave N Shift Values>> N :: 121.98(4.07) D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 I 0.1 L 0.09 K 0.08 D 0.08 N 0.01 R 0.01 C Shift Assignments>> C :: 178.852 CA :: 57.980 CB :: 40.271 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 :: 8.224 HA :: 4.195 HB2 :: 2.716 HB3 :: 2.853 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.183 Ave N Shift Values>> N :: 120.73(4.2) A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.03 C Shift Assignments>> C :: 180.707 CA :: 54.853 CB :: 18.053 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.589 HA :: 4.204 HB :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.619 Ave N Shift Values>> N :: 123.23(3.7) M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.18 E 0.1 K 0.02 HN Overlap>> T26 E149 C Shift Assignments>> C :: 178.870 CA :: 59.179 CB :: 33.161 CG :: 32.816 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 :: 8.190 HA :: 4.153 HB2 :: 2.028 HB3 :: 2.162 HG2 :: 2.488 HG3 :: 2.826 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.689 Ave N Shift Values>> N :: 120.1(3.88) I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 HN Overlap>> V14 F71 C Shift Assignments>> C :: 176.891 CA :: 62.621 CB :: 34.996 CG1 :: 27.894 CG2 :: 18.050 CD1 :: 9.846 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 :: 8.446 HA :: 3.653 HB :: 2.238 HG2 :: 0.913 HG12 :: 1.414 HG13 :: 1.723 HD1 :: 0.647 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 :: 119.462 Ave N Shift Values>> N :: 121.6(4.72) D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 K 0.16 L 0.16 D 0.13 I 0.04 R 0.03 N 0.02 HN Overlap>> L101 C Shift Assignments>> C :: 177.746 CA :: 57.000 CB :: 40.785 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 :: 7.468 HA :: 4.392 HB2 :: 2.720 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.221 Ave N Shift Values>> N :: 120.73(4.2) E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.16 Q 0.15 M 0.11 I 0.09 C Shift Assignments>> C :: 178.264 CA :: 58.169 CB :: 30.055 CG :: 35.550 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 :: 7.273 HA :: 4.023 HB2 :: 2.125 HG2 :: 2.356 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 :: 116.653 Ave N Shift Values>> N :: 120.68(3.68) I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.157 CA :: 64.135 CB :: 39.797 CG1 :: 28.987 CG2 :: 18.596 CD1 :: 16.409 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 :: 8.318 HA :: 3.732 HB :: 1.679 HG2 :: 0.878 HG12 :: 0.951 HG13 :: 1.921 HD1 :: 0.813 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 :: 119.368 Ave N Shift Values>> N :: 121.6(4.72) D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.16 Y 0.06 F 0.04 L 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 177.568 CA :: 52.094 CB :: 38.314 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 :: 8.304 HA :: 4.887 HB2 :: 1.983 HB3 :: 2.924 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 :: 117.534 Ave N Shift Values>> N :: 120.73(4.2) A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.46 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 178.479 CA :: 54.743 CB :: 19.183 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.026 HA :: 4.118 HB :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.579 Ave N Shift Values>> N :: 123.23(3.7) D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.31 L 0.07 F 0.05 Y 0.05 C Shift Assignments>> C :: 177.604 CA :: 51.991 CB :: 39.726 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 :: 7.974 HA :: 4.683 HB2 :: 2.734 HB3 :: 3.086 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.167 Ave N Shift Values>> N :: 120.73(4.2) G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 175.339 CA :: 47.105 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.014 HA2 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.687 Ave N Shift Values>> N :: 109.91(4.29) S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 176.231 CA :: 60.032 CB :: 64.929 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.406 HA :: 4.152 HB2 :: 3.843 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.671 Ave N Shift Values>> N :: 116.3(3.95) G144 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 173.003 CA :: 45.695 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.853(S) HA2 :: 4.140 HA3 :: 3.520 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.726 Ave N Shift Values>> N :: 109.91(4.29) T145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.325 CA :: 58.484 CB :: 73.259 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 :: 7.698 HA :: 4.651 HB :: 3.780 HG2 :: 0.673 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.638 Ave N Shift Values>> N :: 115.7(5.05) V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.036 CA :: 61.382 CB :: 32.384 CG1 :: 21.313 CG2 :: 21.313 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.889 HA :: 5.119 HB :: 2.181 HG1 :: 1.262 HG2 :: 0.706 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 :: 128.758 Ave N Shift Values>> N :: 121.02(4.96) D147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.25 K 0.11 N 0.11 R 0.07 F 0.05 Y 0.04 C Shift Assignments>> C :: 179.173 CA :: 52.748 CB :: 41.844 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 :: 8.832 HA :: 5.289 HB2 :: 3.352 HB3 :: 2.765 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 :: 127.663 Ave N Shift Values>> N :: 120.73(4.2) F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.42 HN Overlap>> F99 C Shift Assignments>> C :: 179.815 CA :: 62.378 CB :: 39.358 CD1 :: 131.553 CE1 :: 130.770 CZ :: 129.727 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 :: 8.481 HA :: 3.295 HB2 :: 2.658 HB3 :: 2.495 HD1 :: 6.583 HE1 :: 7.178 HZ :: 7.252 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 :: 117.584 Ave N Shift Values>> N :: 120.69(4.18) E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 E 0.22 K 0.01 HN Overlap>> M134 C Shift Assignments>> C :: 180.600 CA :: 60.640 CB :: 28.931 CG :: 37.738 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 :: 8.143 HA :: 3.704 HB2 :: 2.170 HB3 :: 2.039 HG2 :: 2.316 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 :: 118.768 Ave N Shift Values>> N :: 120.68(3.68) E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.38 K 0.05 M 0.03 C Shift Assignments>> C :: 179.405 CA :: 59.018 CB :: 29.638 CG :: 37.191 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 :: 8.727 HA :: 4.021 HB2 :: 2.113 HB3 :: 2.465 HG2 :: 2.972 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 :: 122.672 Ave N Shift Values>> N :: 120.68(3.68) F151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 Y 0.4 C Shift Assignments>> C :: 176.659 CA :: 61.169 CB :: 40.220 CD1 :: 131.292 CE1 :: 131.031 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 :: 8.622 HA :: 3.936 HB2 :: 3.079 HD1 :: 6.988 HE1 :: 7.295 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.211 Ave N Shift Values>> N :: 120.69(4.18) M152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 E 0.2 K 0.18 M 0.16 Q 0.11 V 0.07 I 0.03 C Shift Assignments>> C :: 178.906 CA :: 58.011 CB :: 31.396 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 :: 8.786 HA :: 3.757 HB2 :: 1.896 HG2 :: 3.028 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.505 Ave N Shift Values>> N :: 120.1(3.88) G153 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 :: 175.256 CA :: 46.958 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.805 HA2 :: 3.910 HA3 :: 3.700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.185 Ave N Shift Values>> N :: 109.91(4.29) V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.113 CA :: 63.095 CB :: 32.243 CG1 :: 20.245 CG2 :: 22.916 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 :: 7.101 HA :: 4.155 HB :: 1.991 HG1 :: 0.874 HG2 :: 0.954 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 :: 117.634 Ave N Shift Values>> N :: 121.02(4.96) M155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 R 0.22 K 0.21 E 0.15 Q 0.12 V 0.01 C Shift Assignments>> C :: 177.461 CA :: 55.510 CB :: 31.608 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.590 HA :: 4.382 HB2 :: 1.879 HB3 :: 1.506 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.445 Ave N Shift Values>> N :: 120.1(3.88) T156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> G106 C Shift Assignments>> C :: 177.033 CA :: 61.926 CB :: 70.506 CG2 :: 21.633 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 :: 7.677 HA :: 4.431 HB :: 4.331 HG2 :: 1.181 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.640 Ave N Shift Values>> N :: 115.7(5.05) G157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 R 0.01 C Shift Assignments>> C :: 174.679 CA :: 45.764 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.859 HA2 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.593 Ave N Shift Values>> N :: 109.91(4.29) G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.915 CA :: 45.835 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 4.050 HA3 :: 3.930 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.076 Ave N Shift Values>> N :: 109.91(4.29) D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.14 N 0.1 F 0.09 Y 0.07 R 0.04 HN Overlap>> Q49 C Shift Assignments>> C :: 175.410 CA :: 54.316 CB :: 41.209 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 :: 8.318 HA :: 4.670 HB2 :: 2.715 HB3 :: 2.586 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.823 Ave N Shift Values>> N :: 120.73(4.2) E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 R 0.24 Q 0.15 K 0.11 M 0.11 V 0.05 I 0.05 C Shift Assignments>> CA :: 58.195 CB :: 30.619 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 :: 7.966 HA :: 4.117 HB2 :: 2.039 HB3 :: 1.898 HG2 :: 2.213 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.780 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 154 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 157 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 0 C Shift Results: #Consistent: 590 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 737 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 171 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: I41 HG12 = -0.401(S), Expected = 1.30, Std = 0.4000, ChiSquare = 2.1140e-05 E60 HG2 = 0.700(M), Expected = 2.31, Std = 0.2100, ChiSquare = 1.7652e-14 G67 H = 10.897(S), Expected = 8.34, Std = 0.7400, ChiSquare = 5.4947e-04 D103 HB2 = 1.614(S), Expected = 2.74, Std = 0.2900, ChiSquare = 1.0328e-04 G108 H = 10.862(S), Expected = 8.34, Std = 0.7400, ChiSquare = 6.5415e-04 G144 H = 10.853(S), Expected = 8.34, Std = 0.7400, ChiSquare = 6.8392e-04